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Organofluorides

Organic compounds that contain one or more fluorine atoms.

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2

2-(Trifluoromethyl)-1H-indole, 97%, Thermo Scientific™

CAS: 51310-54-4 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 InChI Key: QFHVHZJGQWMBTE-UHFFFAOYSA-N Synonym: 2-trifluoromethyl-1h-indole,2-trifluoromethylindole,1h-indole, 2-trifluoromethyl,pubchem23796,2-trifluoromethyl indole PubChem CID: 10932124 IUPAC Name: 2-(trifluoromethyl)-1H-indole SMILES: C1=CC=C2C(=C1)C=C(N2)C(F)(F)F

PubChem CID 10932124
CAS 51310-54-4
Molecular Weight (g/mol) 185.15
SMILES C1=CC=C2C(=C1)C=C(N2)C(F)(F)F
Synonym 2-trifluoromethyl-1h-indole,2-trifluoromethylindole,1h-indole, 2-trifluoromethyl,pubchem23796,2-trifluoromethyl indole
IUPAC Name 2-(trifluoromethyl)-1H-indole
InChI Key QFHVHZJGQWMBTE-UHFFFAOYSA-N
Molecular Formula C9H6F3N
3

5-(Trifluoromethoxy)-1H-indole-2-carboxylic acid, 97%, Thermo Scientific™

CAS: 175203-84-6 Molecular Formula: C10H6F3NO3 Molecular Weight (g/mol): 245.16 MDL Number: MFCD00276997 InChI Key: DJJJSHFPEISHFN-UHFFFAOYSA-N Synonym: 5-trifluoromethoxy-1h-indole-2-carboxylic acid,5-trifluoromethoxy indole-2-carboxylic acid,maybridge1_004876,1h-indole-2-carboxylic acid, 5-trifluoromethoxy,5-trifluoromethyloxy-1h-indole-2-carboxylic acid PubChem CID: 2777290 IUPAC Name: 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N1

PubChem CID 2777290
CAS 175203-84-6
Molecular Weight (g/mol) 245.16
MDL Number MFCD00276997
SMILES OC(=O)C1=CC2=CC(OC(F)(F)F)=CC=C2N1
Synonym 5-trifluoromethoxy-1h-indole-2-carboxylic acid,5-trifluoromethoxy indole-2-carboxylic acid,maybridge1_004876,1h-indole-2-carboxylic acid, 5-trifluoromethoxy,5-trifluoromethyloxy-1h-indole-2-carboxylic acid
IUPAC Name 5-(trifluoromethoxy)-1H-indole-2-carboxylic acid
InChI Key DJJJSHFPEISHFN-UHFFFAOYSA-N
Molecular Formula C10H6F3NO3
4

2-(Trifluoromethyl)pyridine, 97%, Thermo Scientific™

CAS: 368-48-9 Molecular Formula: C6H4F3N Molecular Weight (g/mol): 147.10 MDL Number: MFCD02183562 InChI Key: ATRQECRSCHYSNP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine PubChem CID: 136199 IUPAC Name: 2-(trifluoromethyl)pyridine SMILES: FC(F)(F)C1=CC=CC=N1

PubChem CID 136199
CAS 368-48-9
Molecular Weight (g/mol) 147.10
MDL Number MFCD02183562
SMILES FC(F)(F)C1=CC=CC=N1
Synonym 2-trifluoromethyl pyridine,2-trifluoromethyl-pyridine,trifluoromethylpyridine,2-1,1,1-trifluoromethyl pyridine,pyridine, trifluoromethyl,alpha,alpha,alpha-trifluoro-2-picoline,2-cf3-pyridine,trifluoromethyl pyridine
IUPAC Name 2-(trifluoromethyl)pyridine
InChI Key ATRQECRSCHYSNP-UHFFFAOYSA-N
Molecular Formula C6H4F3N
5

1,2-Dibromohexafluoropropane, 95%

CAS: 661-95-0 Molecular Formula: C3Br2F6 Molecular Weight (g/mol): 309.83 MDL Number: MFCD00013568 InChI Key: KTULQNFKNLFOHL-UHFFFAOYNA-N Synonym: 1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro PubChem CID: 69579 IUPAC Name: 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane SMILES: FC(F)(F)C(F)(Br)C(F)(F)Br

PubChem CID 69579
CAS 661-95-0
Molecular Weight (g/mol) 309.83
MDL Number MFCD00013568
SMILES FC(F)(F)C(F)(Br)C(F)(F)Br
Synonym 1,2-dibromohexafluoropropane,propane, 1,2-dibromo-1,1,2,3,3,3-hexafluoro
IUPAC Name 1,2-dibromo-1,1,2,3,3,3-hexafluoropropane
InChI Key KTULQNFKNLFOHL-UHFFFAOYNA-N
Molecular Formula C3Br2F6
6

2-(Trifluoromethyl)pyrazine, 97%, Thermo Scientific™

CAS: 61655-67-2 Molecular Formula: C5H3F3N2 Molecular Weight (g/mol): 148.09 MDL Number: MFCD06797734 InChI Key: CEAMSISEJZMQEP-UHFFFAOYSA-N Synonym: 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl PubChem CID: 17888936 IUPAC Name: 2-(trifluoromethyl)pyrazine SMILES: C1=CN=C(C=N1)C(F)(F)F

PubChem CID 17888936
CAS 61655-67-2
Molecular Weight (g/mol) 148.09
MDL Number MFCD06797734
SMILES C1=CN=C(C=N1)C(F)(F)F
Synonym 2-trifluoromethyl pyrazine,2-trifluoromethyl-pyrazine,pyrazine, trifluoromethyl,trifluoromethylpyrazine,pyrazine, 2-trifluoromethyl
IUPAC Name 2-(trifluoromethyl)pyrazine
InChI Key CEAMSISEJZMQEP-UHFFFAOYSA-N
Molecular Formula C5H3F3N2
7

1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether, 97%

CAS: 26675-46-7 Molecular Formula: C3H2ClF5O Molecular Weight (g/mol): 184.49 MDL Number: MFCD00066609 InChI Key: PIWKPBJCKXDKJR-UHFFFAOYNA-N Synonym: isoflurane,forane,1-chloro-2,2,2-trifluoroethyl difluoromethyl ether,forene,aerrane,isoflurano,isofluranum,isoflo,compound 469,2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane PubChem CID: 3763 ChEBI: CHEBI:6015 IUPAC Name: 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane SMILES: FC(F)OC(Cl)C(F)(F)F

PubChem CID 3763
CAS 26675-46-7
Molecular Weight (g/mol) 184.49
ChEBI CHEBI:6015
MDL Number MFCD00066609
SMILES FC(F)OC(Cl)C(F)(F)F
Synonym isoflurane,forane,1-chloro-2,2,2-trifluoroethyl difluoromethyl ether,forene,aerrane,isoflurano,isofluranum,isoflo,compound 469,2-chloro-2-difluoromethoxy-1,1,1-trifluoroethane
IUPAC Name 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
InChI Key PIWKPBJCKXDKJR-UHFFFAOYNA-N
Molecular Formula C3H2ClF5O
8

2-Amino-6-(trifluoromethyl)benzothiazole, 97+%

CAS: 777-12-8 Molecular Formula: C8H5F3N2S Molecular Weight (g/mol): 218.197 MDL Number: MFCD00269597 InChI Key: WEDYEBJLWMPPOK-UHFFFAOYSA-N Synonym: 2-amino-6-trifluoromethyl benzothiazole,6-trifluoromethyl benzo d thiazol-2-amine,6-trifluoromethyl-1,3-benzothiazol-2-amine,2-amino-6-trifluoromethyl-1,3-benzothiazole,2-amino-6-trifluoromethylbenzothiazole,6-trifluoromethyl-benzothiazol-2-ylamine,2-benzothiazolamine, 6-trifluoromethyl,2-amino-6-trifluoromethyl-1,3-benzothiazol,6-trifluoromethyl-1,3-benzothiazol-2-ylamine,6-trifluoromethyl benzothiazole-2-ylamine PubChem CID: 2735955 IUPAC Name: 6-(trifluoromethyl)-1,3-benzothiazol-2-amine SMILES: C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N

PubChem CID 2735955
CAS 777-12-8
Molecular Weight (g/mol) 218.197
MDL Number MFCD00269597
SMILES C1=CC2=C(C=C1C(F)(F)F)SC(=N2)N
Synonym 2-amino-6-trifluoromethyl benzothiazole,6-trifluoromethyl benzo d thiazol-2-amine,6-trifluoromethyl-1,3-benzothiazol-2-amine,2-amino-6-trifluoromethyl-1,3-benzothiazole,2-amino-6-trifluoromethylbenzothiazole,6-trifluoromethyl-benzothiazol-2-ylamine,2-benzothiazolamine, 6-trifluoromethyl,2-amino-6-trifluoromethyl-1,3-benzothiazol,6-trifluoromethyl-1,3-benzothiazol-2-ylamine,6-trifluoromethyl benzothiazole-2-ylamine
IUPAC Name 6-(trifluoromethyl)-1,3-benzothiazol-2-amine
InChI Key WEDYEBJLWMPPOK-UHFFFAOYSA-N
Molecular Formula C8H5F3N2S
9

3-(1,1,2,3,3,3-Hexafluoropropyl)adamantane-1-carboxylic acid, 97%, Thermo Scientific™

CAS: 86301-98-6 Molecular Formula: C14H16F6O2 Molecular Weight (g/mol): 330.27 MDL Number: MFCD00193108 InChI Key: GLJDZZQQPFAEPQ-GQPGPOQHSA-N Synonym: 1-1,1,2,3,3,3-hexafluoroprop-1-yl adamantane-3-carboxylic acid,1r,3r,5r,7s-3-1,1,2,3,3,3-hexafluoropropyl adamantane-1-carboxylic acid,1r,3s,5r,7s-3-1,1,2,3,3,3-hexafluoropropyl adamantane-1-carboxylic acid PubChem CID: 71299598 IUPAC Name: (5S,7R)-3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid SMILES: C1C2CC3(CC1CC(C2)(C3)C(C(C(F)(F)F)F)(F)F)C(=O)O

PubChem CID 71299598
CAS 86301-98-6
Molecular Weight (g/mol) 330.27
MDL Number MFCD00193108
SMILES C1C2CC3(CC1CC(C2)(C3)C(C(C(F)(F)F)F)(F)F)C(=O)O
Synonym 1-1,1,2,3,3,3-hexafluoroprop-1-yl adamantane-3-carboxylic acid,1r,3r,5r,7s-3-1,1,2,3,3,3-hexafluoropropyl adamantane-1-carboxylic acid,1r,3s,5r,7s-3-1,1,2,3,3,3-hexafluoropropyl adamantane-1-carboxylic acid
IUPAC Name (5S,7R)-3-(1,1,2,3,3,3-hexafluoropropyl)adamantane-1-carboxylic acid
InChI Key GLJDZZQQPFAEPQ-GQPGPOQHSA-N
Molecular Formula C14H16F6O2
10

2,3-Bis(trifluoromethyl)pyridine, 97%, Thermo Scientific Chemicals

CAS: 1644-68-4 Molecular Formula: C7H3F6N Molecular Weight (g/mol): 215.098 MDL Number: MFCD03093763 InChI Key: RRNXYHYDSDAOFW-UHFFFAOYSA-N Synonym: 2,3-bis trifluoromethyl pyridine,pyridine, 2,3-bis trifluoromethyl,pubchem7694,acmc-209dra,bis trifluoromethyl pyridine,2,3-bis trifluoromethyl pyridine #,pyridine,2,3-bis trifluoromethyl PubChem CID: 589865 IUPAC Name: 2,3-bis(trifluoromethyl)pyridine SMILES: C1=CC(=C(N=C1)C(F)(F)F)C(F)(F)F

PubChem CID 589865
CAS 1644-68-4
Molecular Weight (g/mol) 215.098
MDL Number MFCD03093763
SMILES C1=CC(=C(N=C1)C(F)(F)F)C(F)(F)F
Synonym 2,3-bis trifluoromethyl pyridine,pyridine, 2,3-bis trifluoromethyl,pubchem7694,acmc-209dra,bis trifluoromethyl pyridine,2,3-bis trifluoromethyl pyridine #,pyridine,2,3-bis trifluoromethyl
IUPAC Name 2,3-bis(trifluoromethyl)pyridine
InChI Key RRNXYHYDSDAOFW-UHFFFAOYSA-N
Molecular Formula C7H3F6N
11

2-(Trifluoromethyl)acrylic acid, 98%

CAS: 381-98-6 Molecular Formula: C4H2F3O2 Molecular Weight (g/mol): 139.05 MDL Number: MFCD00042424 InChI Key: VLSRKCIBHNJFHA-UHFFFAOYSA-M Synonym: 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654 PubChem CID: 587694 IUPAC Name: 2-(trifluoromethyl)prop-2-enoic acid SMILES: [O-]C(=O)C(=C)C(F)(F)F

PubChem CID 587694
CAS 381-98-6
Molecular Weight (g/mol) 139.05
MDL Number MFCD00042424
SMILES [O-]C(=O)C(=C)C(F)(F)F
Synonym 2-trifluoromethyl acrylic acid,2-trifluoromethyl propenoic acid,2-trifluoromethyl prop-2-enoic acid,tfmaa,trifluoromethacrylic acid,trifluoromethylacrylic acid,2-trifluoromethylacrylic acid,2-trifluoromethyl-acrylic acid,2-propenoic acid, 2-trifluoromethyl,pubchem22654
IUPAC Name 2-(trifluoromethyl)prop-2-enoic acid
InChI Key VLSRKCIBHNJFHA-UHFFFAOYSA-M
Molecular Formula C4H2F3O2
12
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Perfluorooctyl bromide, 99%

CAS: 423-55-2 Molecular Formula: C8BrF17 Molecular Weight (g/mol): 498.97 MDL Number: MFCD00042082 InChI Key: WTWWXOGTJWMJHI-UHFFFAOYSA-N Synonym: perflubron,1-bromoperfluorooctane,perfluorooctyl bromide,1-bromoheptadecafluorooctane,oxygent,perfluoro-n-octyl bromide,imagent gi,perfluorooctylbromide,liquivent,perfluoroctyl bromide PubChem CID: 9873 ChEBI: CHEBI:38803 IUPAC Name: 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br

PubChem CID 9873
CAS 423-55-2
Molecular Weight (g/mol) 498.97
ChEBI CHEBI:38803
MDL Number MFCD00042082
SMILES FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br
Synonym perflubron,1-bromoperfluorooctane,perfluorooctyl bromide,1-bromoheptadecafluorooctane,oxygent,perfluoro-n-octyl bromide,imagent gi,perfluorooctylbromide,liquivent,perfluoroctyl bromide
IUPAC Name 1-bromo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
InChI Key WTWWXOGTJWMJHI-UHFFFAOYSA-N
Molecular Formula C8BrF17
13

2-(Trifluoromethyl)quinoxaline, 97%, Thermo Scientific™

CAS: 148853-42-3 Molecular Formula: C9H5F3N2 Molecular Weight (g/mol): 198.15 MDL Number: MFCD06656411 InChI Key: YIQVNKFWTSLVSA-UHFFFAOYSA-N Synonym: 2-trifluoromethyl quinoxaline,quinoxaline,2-trifluoromethyl,trifluoromethyl quinoxaline,acmc-1c899 PubChem CID: 10352693 IUPAC Name: 2-(trifluoromethyl)quinoxaline SMILES: FC(F)(F)C1=NC2=CC=CC=C2N=C1

PubChem CID 10352693
CAS 148853-42-3
Molecular Weight (g/mol) 198.15
MDL Number MFCD06656411
SMILES FC(F)(F)C1=NC2=CC=CC=C2N=C1
Synonym 2-trifluoromethyl quinoxaline,quinoxaline,2-trifluoromethyl,trifluoromethyl quinoxaline,acmc-1c899
IUPAC Name 2-(trifluoromethyl)quinoxaline
InChI Key YIQVNKFWTSLVSA-UHFFFAOYSA-N
Molecular Formula C9H5F3N2
14

2-(Trifluoromethyl)quinoline, 97%, Thermo Scientific™

CAS: 347-42-2 Molecular Formula: C10H6F3N Molecular Weight (g/mol): 197.16 MDL Number: MFCD01862002 InChI Key: YZSRICFIQLVSMQ-UHFFFAOYSA-N Synonym: 2-trifluoromethyl quinoline,2-trifluoromethyl-quinoline,pubchem23495,trifluoromethyl quinoline,quinoline,2-trifluoromethyl PubChem CID: 2777805 IUPAC Name: 2-(trifluoromethyl)quinoline SMILES: FC(F)(F)C1=NC2=CC=CC=C2C=C1

PubChem CID 2777805
CAS 347-42-2
Molecular Weight (g/mol) 197.16
MDL Number MFCD01862002
SMILES FC(F)(F)C1=NC2=CC=CC=C2C=C1
Synonym 2-trifluoromethyl quinoline,2-trifluoromethyl-quinoline,pubchem23495,trifluoromethyl quinoline,quinoline,2-trifluoromethyl
IUPAC Name 2-(trifluoromethyl)quinoline
InChI Key YZSRICFIQLVSMQ-UHFFFAOYSA-N
Molecular Formula C10H6F3N
15

3,3,3-Trifluoro-2-(trifluoromethyl)propionic acid, 97%

CAS: 564-10-3 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00464165 InChI Key: RAEAYTICAPHWJW-UHFFFAOYSA-N Synonym: 3,3,3-trifluoro-2-trifluoromethyl propanoic acid,2-trifluoromethyl-3,3,3-trifluoropropionic acid,3,3,3-trifluoro-2-trifluoromethyl propionic acid,propanoic acid,3,3,3-trifluoro-2-trifluoromethyl,hexafluoroisobutyric acid,acmc-1amsz,cf3 2chco2h,3,3,3-trifluoro-2-trifluoromethylpropionic acid,3,3,3-trifluoro-2-trifluoromethyl-propionic acid,3,3,3-tris fluoranyl-2-trifluoromethyl propanoic acid PubChem CID: 385606 IUPAC Name: 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid SMILES: C(C(=O)O)(C(F)(F)F)C(F)(F)F

PubChem CID 385606
CAS 564-10-3
Molecular Weight (g/mol) 196.05
MDL Number MFCD00464165
SMILES C(C(=O)O)(C(F)(F)F)C(F)(F)F
Synonym 3,3,3-trifluoro-2-trifluoromethyl propanoic acid,2-trifluoromethyl-3,3,3-trifluoropropionic acid,3,3,3-trifluoro-2-trifluoromethyl propionic acid,propanoic acid,3,3,3-trifluoro-2-trifluoromethyl,hexafluoroisobutyric acid,acmc-1amsz,cf3 2chco2h,3,3,3-trifluoro-2-trifluoromethylpropionic acid,3,3,3-trifluoro-2-trifluoromethyl-propionic acid,3,3,3-tris fluoranyl-2-trifluoromethyl propanoic acid
IUPAC Name 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid
InChI Key RAEAYTICAPHWJW-UHFFFAOYSA-N
Molecular Formula C4H2F6O2