2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride

C13H9F3O2S — CID 165448784

IUPAC2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(-c2ccccc2)ccc1C(F)F
InChIInChI=1S/C13H9F3O2S/c14-13(15)11-7-6-10(8-12(11)19(16,17)18)9-4-2-1-3-5-9/h1-8,13H
InChIKeyBZCKLRZOYIJWMO-UHFFFAOYSA-N
MW286.27 g/mol
LogP3.95
Rot. Bonds3

About 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride

2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride (PubChem CID 165448784) has the molecular formula C13H9F3O2S and a molecular weight of 286.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride
PubChem CID165448784
Molecular FormulaC13H9F3O2S
Molecular Weight286.27 g/mol
Exact Mass286.03
IUPAC Name2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(-c2ccccc2)ccc1C(F)F
InChIInChI=1S/C13H9F3O2S/c14-13(15)11-7-6-10(8-12(11)19(16,17)18)9-4-2-1-3-5-9/h1-8,13H
InChIKeyBZCKLRZOYIJWMO-UHFFFAOYSA-N
XLogP3.95
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride?
The IUPAC name of 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride (CID 165448784) is 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride.
What is the SMILES notation for 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride?
The canonical SMILES for 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride is O=S(=O)(F)c1cc(-c2ccccc2)ccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride?
The InChIKey is BZCKLRZOYIJWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O2S/c14-13(15)11-7-6-10(8-12(11)19(16,17)18)9-4-2-1-3-5-9/h1-8,13H.
What are the key properties of 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride?
2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride has a molecular weight of 286.27 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-phenylbenzenesulfonyl fluoride is sourced from PubChem (CID 165448784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).