[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride

C9H8ClF3O2S — CID 84713401

IUPAC[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O2S/c10-16(14,15)6-8-3-1-2-7(4-8)5-9(11,12)13/h1-4H,5-6H2
InChIKeyGRNFYXHRFPZDSK-UHFFFAOYSA-N
MW272.68 g/mol
LogP2.86
Rot. Bonds3

About [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride

[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride (PubChem CID 84713401) has the molecular formula C9H8ClF3O2S and a molecular weight of 272.68 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
PubChem CID84713401
Molecular FormulaC9H8ClF3O2S
Molecular Weight272.68 g/mol
Exact Mass271.99
IUPAC Name[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc(CC(F)(F)F)c1
InChIInChI=1S/C9H8ClF3O2S/c10-16(14,15)6-8-3-1-2-7(4-8)5-9(11,12)13/h1-4H,5-6H2
InChIKeyGRNFYXHRFPZDSK-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(3-chlorophenyl)methanesulfonyl chloride
CID 2757802
[3-(diethylamino)phenyl]methanesulfonyl chloride
CID 117409254
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
[3-(difluoromethylsulfanyl)phenyl]methanesulfonyl chloride
CID 117434501
3-(chlorosulfonylmethyl)benzoyl chloride
CID 163930770
[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
CID 117425179
O-[[3-(2,2,2-trifluoroethyl)phenyl]methyl]hydroxylamine
CID 117293106
3-(2,2,2-trifluoroethyl)benzoic acid
CID 14087914
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
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[3-(1-hydroxyethyl)phenyl]methanesulfonyl chloride
CID 117117225

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride (CID 84713401) is [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc(CC(F)(F)F)c1.
What is the InChIKey of [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride?
The InChIKey is GRNFYXHRFPZDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2S/c10-16(14,15)6-8-3-1-2-7(4-8)5-9(11,12)13/h1-4H,5-6H2.
What are the key properties of [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride?
[3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride has a molecular weight of 272.68 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 84713401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).