1,1-difluoropent-1-en-2-ylsulfonylbenzene

C11H12F2O2S — CID 10752935

IUPAC1,1-difluoropent-1-en-2-ylsulfonylbenzene
SMILESCCCC(=C(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12F2O2S/c1-2-6-10(11(12)13)16(14,15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyKOLOVWQSWWSNJK-UHFFFAOYSA-N
MW246.28 g/mol
LogP3.37
Rot. Bonds4

About 1,1-difluoropent-1-en-2-ylsulfonylbenzene

1,1-difluoropent-1-en-2-ylsulfonylbenzene (PubChem CID 10752935) has the molecular formula C11H12F2O2S and a molecular weight of 246.28 g/mol. Its IUPAC name is 1,1-difluoropent-1-en-2-ylsulfonylbenzene.

Molecular Properties

Compound Name1,1-difluoropent-1-en-2-ylsulfonylbenzene
PubChem CID10752935
Molecular FormulaC11H12F2O2S
Molecular Weight246.28 g/mol
Exact Mass246.05
IUPAC Name1,1-difluoropent-1-en-2-ylsulfonylbenzene
SMILESCCCC(=C(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H12F2O2S/c1-2-6-10(11(12)13)16(14,15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChIKeyKOLOVWQSWWSNJK-UHFFFAOYSA-N
XLogP3.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 53.37
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-difluoropent-1-en-2-ylsulfonylbenzene?
The IUPAC name of 1,1-difluoropent-1-en-2-ylsulfonylbenzene (CID 10752935) is 1,1-difluoropent-1-en-2-ylsulfonylbenzene.
What is the SMILES notation for 1,1-difluoropent-1-en-2-ylsulfonylbenzene?
The canonical SMILES for 1,1-difluoropent-1-en-2-ylsulfonylbenzene is CCCC(=C(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,1-difluoropent-1-en-2-ylsulfonylbenzene?
The InChIKey is KOLOVWQSWWSNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2S/c1-2-6-10(11(12)13)16(14,15)9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3.
What are the key properties of 1,1-difluoropent-1-en-2-ylsulfonylbenzene?
1,1-difluoropent-1-en-2-ylsulfonylbenzene has a molecular weight of 246.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoropent-1-en-2-ylsulfonylbenzene is sourced from PubChem (CID 10752935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).