2,2,2-trifluoro-1-phenylethanesulfonyl chloride

C8H6ClF3O2S — CID 75480361

IUPAC2,2,2-trifluoro-1-phenylethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6ClF3O2S/c9-15(13,14)7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
InChIKeyLXRRNCPWUOABIA-UHFFFAOYSA-N
MW258.65 g/mol
LogP2.86
Rot. Bonds2

About 2,2,2-trifluoro-1-phenylethanesulfonyl chloride

2,2,2-trifluoro-1-phenylethanesulfonyl chloride (PubChem CID 75480361) has the molecular formula C8H6ClF3O2S and a molecular weight of 258.65 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-phenylethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-phenylethanesulfonyl chloride
PubChem CID75480361
Molecular FormulaC8H6ClF3O2S
Molecular Weight258.65 g/mol
Exact Mass257.97
IUPAC Name2,2,2-trifluoro-1-phenylethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C8H6ClF3O2S/c9-15(13,14)7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H
InChIKeyLXRRNCPWUOABIA-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.65
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2,2-trifluoro-1-(2,2,2-trifluoro-1-phenylethyl)sulfonylethyl]benzene
CID 87624100
(1-butan-2-ylsulfonyl-2,2,2-trifluoroethyl)benzene
CID 155261822
1-chloropentane;2,2,2-trifluoro-1-phenylethanesulfonamide
CID 174529281
2,2,2-trifluoro-1-(2-methylfuran-3-yl)ethanesulfonyl chloride
CID 130654970
2,2,2-trifluoro-1-[2-(methoxymethyl)phenyl]ethanesulfonyl chloride
CID 114827543
1-(5-bromo-3-pyridinyl)-2,2,2-trifluoroethanesulfonyl chloride
CID 114827502
2,2,2-trifluoro-1-phenylethanesulfinic acid
CID 18758760
lithium bis[(1R)-2,2,2-trifluoro-1-phenylethyl]azanide
CID 10783246
1-(4-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethanesulfonyl chloride
CID 102846187
N-[(1R,2R)-1,2-diphenyl-2-(trifluoromethylsulfonylamino)ethyl]-1,1,1-trifluoromethanesulfonamide
CID 139189977
[fluoro(phenyl)methyl] trifluoromethanesulfonate
CID 175221512
1-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroethanesulfonamide
CID 114827661

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-phenylethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-phenylethanesulfonyl chloride (CID 75480361) is 2,2,2-trifluoro-1-phenylethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-phenylethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-phenylethanesulfonyl chloride is O=S(=O)(Cl)C(c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-phenylethanesulfonyl chloride?
The InChIKey is LXRRNCPWUOABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3O2S/c9-15(13,14)7(8(10,11)12)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of 2,2,2-trifluoro-1-phenylethanesulfonyl chloride?
2,2,2-trifluoro-1-phenylethanesulfonyl chloride has a molecular weight of 258.65 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-phenylethanesulfonyl chloride is sourced from PubChem (CID 75480361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).