1,1-difluoroprop-1-en-2-ylsulfonylbenzene

C9H8F2O2S — CID 10751286

IUPAC1,1-difluoroprop-1-en-2-ylsulfonylbenzene
SMILESCC(=C(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H8F2O2S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyUOILSMIEKKLPJZ-UHFFFAOYSA-N
MW218.22 g/mol
LogP2.59
Rot. Bonds2

About 1,1-difluoroprop-1-en-2-ylsulfonylbenzene

1,1-difluoroprop-1-en-2-ylsulfonylbenzene (PubChem CID 10751286) has the molecular formula C9H8F2O2S and a molecular weight of 218.22 g/mol. Its IUPAC name is 1,1-difluoroprop-1-en-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1,1-difluoroprop-1-en-2-ylsulfonylbenzene
PubChem CID10751286
Molecular FormulaC9H8F2O2S
Molecular Weight218.22 g/mol
Exact Mass218.02
IUPAC Name1,1-difluoroprop-1-en-2-ylsulfonylbenzene
SMILESCC(=C(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C9H8F2O2S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyUOILSMIEKKLPJZ-UHFFFAOYSA-N
XLogP2.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diphenyl sulfone
CID 31386
Fluoresone
CID 71814
Methyl phenyl sulfone
CID 18369
(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
1-Fluoro-4-(phenylsulphonyl)benzene
CID 67556
Butyl phenyl sulfone
CID 238507
((1-Methylethyl)sulfonyl)benzene
CID 199476
1-Fluoro-4-(methylsulphonyl)benzene
CID 67994

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroprop-1-en-2-ylsulfonylbenzene?
The IUPAC name of 1,1-difluoroprop-1-en-2-ylsulfonylbenzene (CID 10751286) is 1,1-difluoroprop-1-en-2-ylsulfonylbenzene.
What is the SMILES notation for 1,1-difluoroprop-1-en-2-ylsulfonylbenzene?
The canonical SMILES for 1,1-difluoroprop-1-en-2-ylsulfonylbenzene is CC(=C(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,1-difluoroprop-1-en-2-ylsulfonylbenzene?
The InChIKey is UOILSMIEKKLPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2S/c1-7(9(10)11)14(12,13)8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 1,1-difluoroprop-1-en-2-ylsulfonylbenzene?
1,1-difluoroprop-1-en-2-ylsulfonylbenzene has a molecular weight of 218.22 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroprop-1-en-2-ylsulfonylbenzene is sourced from PubChem (CID 10751286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).