3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride

C7H3ClF4O2S — CID 165461269

IUPAC3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C7H3ClF4O2S/c8-4-2-1-3-5(15(12,13)14)6(4)7(9,10)11/h1-3H
InChIKeyGKJQFYUYUCFUNK-UHFFFAOYSA-N
MW262.61 g/mol
LogP3.02
Rot. Bonds1

About 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride

3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride (PubChem CID 165461269) has the molecular formula C7H3ClF4O2S and a molecular weight of 262.61 g/mol. Its IUPAC name is 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride
PubChem CID165461269
Molecular FormulaC7H3ClF4O2S
Molecular Weight262.61 g/mol
Exact Mass261.95
IUPAC Name3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cccc(Cl)c1C(F)(F)F
InChIInChI=1S/C7H3ClF4O2S/c8-4-2-1-3-5(15(12,13)14)6(4)7(9,10)11/h1-3H
InChIKeyGKJQFYUYUCFUNK-UHFFFAOYSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-methyl-2-(trifluoromethyl)benzene;sulfuryl dichloride
CID 175251284
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
2,3-bis(trifluoromethyl)benzenesulfonyl chloride
CID 19430547
1,3-dichloro-2-[chloro(difluoro)methyl]benzene
CID 174643582
1-chloro-3-nitro-2-(trifluoromethyl)benzene
CID 11075091
[3-chloro-2-(1,1-difluoroethyl)phenyl]methanesulfonyl chloride
CID 117466693
3-chloro-2-(2-fluoropropan-2-yl)benzoic acid
CID 84682261
3-chloro-N,N-dimethyl-2-(trifluoromethyl)aniline
CID 67610403
3-chloro-N-methyl-2-(trifluoromethyl)aniline
CID 67814646
1-chloro-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999624
2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
CID 146167636
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride?
The IUPAC name of 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride (CID 165461269) is 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1cccc(Cl)c1C(F)(F)F.
What is the InChIKey of 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride?
The InChIKey is GKJQFYUYUCFUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClF4O2S/c8-4-2-1-3-5(15(12,13)14)6(4)7(9,10)11/h1-3H.
What are the key properties of 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride?
3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride has a molecular weight of 262.61 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(trifluoromethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 165461269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).