[(E)-1,2-difluoroethenyl]sulfonylbenzene

C8H6F2O2S — CID 15318623

IUPAC[(E)-1,2-difluoroethenyl]sulfonylbenzene
SMILESO=S(=O)(/C(F)=C/F)c1ccccc1
InChIInChI=1S/C8H6F2O2S/c9-6-8(10)13(11,12)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyDAFGCJZYKUPTGZ-SOFGYWHQSA-N
MW204.20 g/mol
LogP2.20
Rot. Bonds2

About [(E)-1,2-difluoroethenyl]sulfonylbenzene

[(E)-1,2-difluoroethenyl]sulfonylbenzene (PubChem CID 15318623) has the molecular formula C8H6F2O2S and a molecular weight of 204.20 g/mol. Its IUPAC name is [(E)-1,2-difluoroethenyl]sulfonylbenzene.

Molecular Properties

Compound Name[(E)-1,2-difluoroethenyl]sulfonylbenzene
PubChem CID15318623
Molecular FormulaC8H6F2O2S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name[(E)-1,2-difluoroethenyl]sulfonylbenzene
SMILESO=S(=O)(/C(F)=C/F)c1ccccc1
InChIInChI=1S/C8H6F2O2S/c9-6-8(10)13(11,12)7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyDAFGCJZYKUPTGZ-SOFGYWHQSA-N
XLogP2.20
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzenesulfonyl chloride
CID 7369
Diphenyl sulfone
CID 31386
Benzenesulfonyl fluoride
CID 67779
Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
4-Fluorobenzenesulfonyl chloride
CID 9588
2,4-Difluorobenzenesulfonamide
CID 574964
(2-Propen-1-ylsulfonyl)benzene
CID 85330
Phenyl vinyl sulfone
CID 79664
Methyl phenyl sulfoxide
CID 14516
(Ethylsulphonyl)benzene
CID 69032
Benzene, 1,1'-sulfonylbis(4-fluoro-
CID 67842

Frequently Asked Questions

What is the IUPAC name of [(E)-1,2-difluoroethenyl]sulfonylbenzene?
The IUPAC name of [(E)-1,2-difluoroethenyl]sulfonylbenzene (CID 15318623) is [(E)-1,2-difluoroethenyl]sulfonylbenzene.
What is the SMILES notation for [(E)-1,2-difluoroethenyl]sulfonylbenzene?
The canonical SMILES for [(E)-1,2-difluoroethenyl]sulfonylbenzene is O=S(=O)(/C(F)=C/F)c1ccccc1.
What is the InChIKey of [(E)-1,2-difluoroethenyl]sulfonylbenzene?
The InChIKey is DAFGCJZYKUPTGZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H6F2O2S/c9-6-8(10)13(11,12)7-4-2-1-3-5-7/h1-6H/b8-6+.
What are the key properties of [(E)-1,2-difluoroethenyl]sulfonylbenzene?
[(E)-1,2-difluoroethenyl]sulfonylbenzene has a molecular weight of 204.20 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1,2-difluoroethenyl]sulfonylbenzene is sourced from PubChem (CID 15318623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).