[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride

C8H5ClF4O2S — CID 115351227

IUPAC[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H5ClF4O2S/c9-16(14,15)4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2
InChIKeyLJNQWBRSTQLPCF-UHFFFAOYSA-N
MW276.64 g/mol
LogP2.91
Rot. Bonds2

About [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride

[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride (PubChem CID 115351227) has the molecular formula C8H5ClF4O2S and a molecular weight of 276.64 g/mol. Its IUPAC name is [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride
PubChem CID115351227
Molecular FormulaC8H5ClF4O2S
Molecular Weight276.64 g/mol
Exact Mass275.96
IUPAC Name[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C8H5ClF4O2S/c9-16(14,15)4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2
InChIKeyLJNQWBRSTQLPCF-UHFFFAOYSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-fluoro-5-(trifluoromethyl)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 [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The IUPAC name of [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride (CID 115351227) is [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride.
What is the SMILES notation for [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The canonical SMILES for [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride?
The InChIKey is LJNQWBRSTQLPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF4O2S/c9-16(14,15)4-5-1-6(8(11,12)13)3-7(10)2-5/h1-3H,4H2.
What are the key properties of [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride?
[3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride has a molecular weight of 276.64 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(trifluoromethyl)phenyl]methanesulfonyl chloride is sourced from PubChem (CID 115351227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).