[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride

C10H12ClFO2S — CID 117380123

IUPAC[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
SMILESCC(C)(F)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H12ClFO2S/c1-10(2,12)9-5-3-8(4-6-9)7-15(11,13)14/h3-6H,7H2,1-2H3
InChIKeyQQSBFNMVGSGKKQ-UHFFFAOYSA-N
MW250.72 g/mol
LogP2.96
Rot. Bonds3

About [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride

[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride (PubChem CID 117380123) has the molecular formula C10H12ClFO2S and a molecular weight of 250.72 g/mol. Its IUPAC name is [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
PubChem CID117380123
Molecular FormulaC10H12ClFO2S
Molecular Weight250.72 g/mol
Exact Mass250.02
IUPAC Name[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride
SMILESCC(C)(F)c1ccc(CS(=O)(=O)Cl)cc1
InChIInChI=1S/C10H12ClFO2S/c1-10(2,12)9-5-3-8(4-6-9)7-15(11,13)14/h3-6H,7H2,1-2H3
InChIKeyQQSBFNMVGSGKKQ-UHFFFAOYSA-N
XLogP2.96
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
The IUPAC name of [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride (CID 117380123) is [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride is CC(C)(F)c1ccc(CS(=O)(=O)Cl)cc1.
What is the InChIKey of [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
The InChIKey is QQSBFNMVGSGKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2S/c1-10(2,12)9-5-3-8(4-6-9)7-15(11,13)14/h3-6H,7H2,1-2H3.
What are the key properties of [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride?
[4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride has a molecular weight of 250.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluoropropan-2-yl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 117380123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).