2,4-difluorobenzenesulfonyl fluoride

C6H3F3O2S — CID 10867234

IUPAC2,4-difluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(F)cc1F
InChIInChI=1S/C6H3F3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKeyOJWNNJCWEKRYRU-UHFFFAOYSA-N
MW196.15 g/mol
LogP1.62
Rot. Bonds1

About 2,4-difluorobenzenesulfonyl fluoride

2,4-difluorobenzenesulfonyl fluoride (PubChem CID 10867234) has the molecular formula C6H3F3O2S and a molecular weight of 196.15 g/mol. Its IUPAC name is 2,4-difluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name2,4-difluorobenzenesulfonyl fluoride
PubChem CID10867234
Molecular FormulaC6H3F3O2S
Molecular Weight196.15 g/mol
Exact Mass195.98
IUPAC Name2,4-difluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(F)cc1F
InChIInChI=1S/C6H3F3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H
InChIKeyOJWNNJCWEKRYRU-UHFFFAOYSA-N
XLogP1.62
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,4-difluorobenzenesulfonyl fluoride 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 2,4-difluorobenzenesulfonyl fluoride?
The IUPAC name of 2,4-difluorobenzenesulfonyl fluoride (CID 10867234) is 2,4-difluorobenzenesulfonyl fluoride.
What is the SMILES notation for 2,4-difluorobenzenesulfonyl fluoride?
The canonical SMILES for 2,4-difluorobenzenesulfonyl fluoride is O=S(=O)(F)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluorobenzenesulfonyl fluoride?
The InChIKey is OJWNNJCWEKRYRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O2S/c7-4-1-2-6(5(8)3-4)12(9,10)11/h1-3H.
What are the key properties of 2,4-difluorobenzenesulfonyl fluoride?
2,4-difluorobenzenesulfonyl fluoride has a molecular weight of 196.15 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorobenzenesulfonyl fluoride is sourced from PubChem (CID 10867234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).