(1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene

C15H22F2O2S — CID 163297803

IUPAC(1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene
SMILESCC(C)C(C(C)(C)C)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22F2O2S/c1-11(2)13(14(3,4)5)15(16,17)20(18,19)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyULARPQWFBXYLOM-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.37
Rot. Bonds4

About (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene

(1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene (PubChem CID 163297803) has the molecular formula C15H22F2O2S and a molecular weight of 304.40 g/mol. Its IUPAC name is (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene.

Molecular Properties

Compound Name(1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene
PubChem CID163297803
Molecular FormulaC15H22F2O2S
Molecular Weight304.40 g/mol
Exact Mass304.13
IUPAC Name(1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene
SMILESCC(C)C(C(C)(C)C)C(F)(F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H22F2O2S/c1-11(2)13(14(3,4)5)15(16,17)20(18,19)12-9-7-6-8-10-12/h6-11,13H,1-5H3
InChIKeyULARPQWFBXYLOM-UHFFFAOYSA-N
XLogP4.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Tert-butyl)-1-[(tert-butyl)sulfonyl]benzene
CID 726432
1-Methyl-4-((trifluoromethyl)sulfonyl)benzene
CID 882246
1-(Difluoromethylsulfonyl)-4-methylbenzene
CID 2308715
1,1-Difluoropentylphenyl sulfone
CID 12158449
1-[(E)-1-fluoro-4,4-dimethylpent-1-enyl]sulfonyl-4-methylbenzene
CID 101142846
1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101142854
[(E)-2-cyclohexyl-1-fluoroethenyl]sulfonylbenzene
CID 101481699
1-(1-Fluoro-4-methylpentyl)sulfonyl-4-methylbenzene
CID 134893790
1-(1-Fluoro-4,4-dimethylpentyl)sulfonyl-4-methylbenzene
CID 134893907
1,1-Difluorobutylphenyl sulfone
CID 12155709
1,1-Difluoropropylphenyl sulfone
CID 12155710
1,1-Difluoroethyl Phenyl Sulfone
CID 12155711

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene?
The IUPAC name of (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene (CID 163297803) is (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene.
What is the SMILES notation for (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene?
The canonical SMILES for (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene is CC(C)C(C(C)(C)C)C(F)(F)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene?
The InChIKey is ULARPQWFBXYLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O2S/c1-11(2)13(14(3,4)5)15(16,17)20(18,19)12-9-7-6-8-10-12/h6-11,13H,1-5H3.
What are the key properties of (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene?
(1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene has a molecular weight of 304.40 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-3,3-dimethyl-2-propan-2-ylbutyl)sulfonylbenzene is sourced from PubChem (CID 163297803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).