2-(difluoromethylsulfonyl)-1,2-diphenylethanone

C15H12F2O3S — CID 138516005

IUPAC2-(difluoromethylsulfonyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C15H12F2O3S/c16-15(17)21(19,20)14(12-9-5-2-6-10-12)13(18)11-7-3-1-4-8-11/h1-10,14-15H
InChIKeyYPAFABVMHZAROU-UHFFFAOYSA-N
MW310.32 g/mol
LogP3.25
Rot. Bonds5

About 2-(difluoromethylsulfonyl)-1,2-diphenylethanone

2-(difluoromethylsulfonyl)-1,2-diphenylethanone (PubChem CID 138516005) has the molecular formula C15H12F2O3S and a molecular weight of 310.32 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-1,2-diphenylethanone.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-1,2-diphenylethanone
PubChem CID138516005
Molecular FormulaC15H12F2O3S
Molecular Weight310.32 g/mol
Exact Mass310.05
IUPAC Name2-(difluoromethylsulfonyl)-1,2-diphenylethanone
SMILESO=C(c1ccccc1)C(c1ccccc1)S(=O)(=O)C(F)F
InChIInChI=1S/C15H12F2O3S/c16-15(17)21(19,20)14(12-9-5-2-6-10-12)13(18)11-7-3-1-4-8-11/h1-10,14-15H
InChIKeyYPAFABVMHZAROU-UHFFFAOYSA-N
XLogP3.25
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
2-hydroxy-1,2-diphenylethanone
CID 159399559
4-fluoro-1,2-diphenylbutan-1-one
CID 174928566
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
formaldehyde;bis(2-hydroxy-1,2-diphenylethanone)
CID 174440021
(2S)-2-phenyl-2-sulfamoylacetic acid
CID 124582466
2-fluoro-3-hydroxy-1-phenylpropan-1-one
CID 45080752
deuterium monohydride;2-hydroxy-1,2-diphenylethanone
CID 158356694
[difluoromethylsulfonyl(methoxy)methyl]benzene
CID 173035541
difluoromethylsulfonyl benzoate
CID 172735189
bis(2-(2-oxo-1,2-diphenylethoxy)-1,2-diphenylethanone);hydrate
CID 19854989

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-1,2-diphenylethanone?
The IUPAC name of 2-(difluoromethylsulfonyl)-1,2-diphenylethanone (CID 138516005) is 2-(difluoromethylsulfonyl)-1,2-diphenylethanone.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-1,2-diphenylethanone?
The canonical SMILES for 2-(difluoromethylsulfonyl)-1,2-diphenylethanone is O=C(c1ccccc1)C(c1ccccc1)S(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)-1,2-diphenylethanone?
The InChIKey is YPAFABVMHZAROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O3S/c16-15(17)21(19,20)14(12-9-5-2-6-10-12)13(18)11-7-3-1-4-8-11/h1-10,14-15H.
What are the key properties of 2-(difluoromethylsulfonyl)-1,2-diphenylethanone?
2-(difluoromethylsulfonyl)-1,2-diphenylethanone has a molecular weight of 310.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-1,2-diphenylethanone is sourced from PubChem (CID 138516005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).