(1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene

C12H12F2O2S — CID 134858804

IUPAC(1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene
SMILESCC(C)=C=CC(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12F2O2S/c1-10(2)8-9-12(13,14)17(15,16)11-6-4-3-5-7-11/h3-7,9H,1-2H3
InChIKeyYDLSDNWVKYJLDV-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.17
Rot. Bonds3

About (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene

(1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene (PubChem CID 134858804) has the molecular formula C12H12F2O2S and a molecular weight of 258.29 g/mol. Its IUPAC name is (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene.

Molecular Properties

Compound Name(1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene
PubChem CID134858804
Molecular FormulaC12H12F2O2S
Molecular Weight258.29 g/mol
Exact Mass258.05
IUPAC Name(1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene
SMILESCC(C)=C=CC(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H12F2O2S/c1-10(2)8-9-12(13,14)17(15,16)11-6-4-3-5-7-11/h3-7,9H,1-2H3
InChIKeyYDLSDNWVKYJLDV-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.17
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
(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
Methoxymethyl Phenyl Sulfone
CID 366072

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene?
The IUPAC name of (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene (CID 134858804) is (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene.
What is the SMILES notation for (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene?
The canonical SMILES for (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene is CC(C)=C=CC(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene?
The InChIKey is YDLSDNWVKYJLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2S/c1-10(2)8-9-12(13,14)17(15,16)11-6-4-3-5-7-11/h3-7,9H,1-2H3.
What are the key properties of (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene?
(1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene has a molecular weight of 258.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-4-methylpenta-2,3-dienyl)sulfonylbenzene is sourced from PubChem (CID 134858804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).