[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride

C10H11ClF2O3S — CID 117458194

IUPAC[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)cc1C(C)(F)F
InChIInChI=1S/C10H11ClF2O3S/c1-10(12,13)8-5-7(6-17(11,14)15)3-4-9(8)16-2/h3-5H,6H2,1-2H3
InChIKeyPPWGDRWQGZBINO-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.88
Rot. Bonds4

About [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride

[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride (PubChem CID 117458194) has the molecular formula C10H11ClF2O3S and a molecular weight of 284.71 g/mol. Its IUPAC name is [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
PubChem CID117458194
Molecular FormulaC10H11ClF2O3S
Molecular Weight284.71 g/mol
Exact Mass284.01
IUPAC Name[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride
SMILESCOc1ccc(CS(=O)(=O)Cl)cc1C(C)(F)F
InChIInChI=1S/C10H11ClF2O3S/c1-10(12,13)8-5-7(6-17(11,14)15)3-4-9(8)16-2/h3-5H,6H2,1-2H3
InChIKeyPPWGDRWQGZBINO-UHFFFAOYSA-N
XLogP2.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethanamine
CID 84681003
(4-ethoxy-3-methoxyphenyl)methanesulfonyl chloride
CID 165446004
O-[2-[3-(1,1-difluoroethyl)-4-methoxyphenyl]ethyl]hydroxylamine
CID 117333808
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
CID 117380123
[3-(1,1-difluoroethyl)-2-methoxyphenyl]methanesulfonyl chloride
CID 117458195
[4-(2,2-difluoropropyl)phenyl]methanesulfonyl chloride
CID 117425179
(3,4-difluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84805414
(4-chloro-3-fluoro-5-methoxyphenyl)methanesulfonyl chloride
CID 84713466
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949

Frequently Asked Questions

What is the IUPAC name of [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride?
The IUPAC name of [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride (CID 117458194) is [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride?
The canonical SMILES for [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride is COc1ccc(CS(=O)(=O)Cl)cc1C(C)(F)F.
What is the InChIKey of [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride?
The InChIKey is PPWGDRWQGZBINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O3S/c1-10(12,13)8-5-7(6-17(11,14)15)3-4-9(8)16-2/h3-5H,6H2,1-2H3.
What are the key properties of [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride?
[3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride has a molecular weight of 284.71 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-difluoroethyl)-4-methoxyphenyl]methanesulfonyl chloride is sourced from PubChem (CID 117458194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).