3,5-difluorobenzenesulfonyl fluoride

C6H3F3O2S — CID 14195261

IUPAC3,5-difluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(F)cc(F)c1
InChIInChI=1S/C6H3F3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
InChIKeyJYGATZXHCCSYOB-UHFFFAOYSA-N
MW196.15 g/mol
LogP1.62
Rot. Bonds1

About 3,5-difluorobenzenesulfonyl fluoride

3,5-difluorobenzenesulfonyl fluoride (PubChem CID 14195261) has the molecular formula C6H3F3O2S and a molecular weight of 196.15 g/mol. Its IUPAC name is 3,5-difluorobenzenesulfonyl fluoride.

Molecular Properties

Compound Name3,5-difluorobenzenesulfonyl fluoride
PubChem CID14195261
Molecular FormulaC6H3F3O2S
Molecular Weight196.15 g/mol
Exact Mass195.98
IUPAC Name3,5-difluorobenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(F)cc(F)c1
InChIInChI=1S/C6H3F3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
InChIKeyJYGATZXHCCSYOB-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

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluorobenzenesulfonyl fluoride?
The IUPAC name of 3,5-difluorobenzenesulfonyl fluoride (CID 14195261) is 3,5-difluorobenzenesulfonyl fluoride.
What is the SMILES notation for 3,5-difluorobenzenesulfonyl fluoride?
The canonical SMILES for 3,5-difluorobenzenesulfonyl fluoride is O=S(=O)(F)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluorobenzenesulfonyl fluoride?
The InChIKey is JYGATZXHCCSYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H.
What are the key properties of 3,5-difluorobenzenesulfonyl fluoride?
3,5-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 3,5-difluorobenzenesulfonyl fluoride is sourced from PubChem (CID 14195261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).