2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol

C11H14F2O3S — CID 117414933

IUPAC2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(F)cc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H14F2O3S/c1-11(2,6-14)8-4-7(12)5-9(10(8)13)17(3,15)16/h4-5,14H,6H2,1-3H3
InChIKeySBBSHKHCHYWCMR-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.64
Rot. Bonds3

About 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol

2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol (PubChem CID 117414933) has the molecular formula C11H14F2O3S and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol
PubChem CID117414933
Molecular FormulaC11H14F2O3S
Molecular Weight264.29 g/mol
Exact Mass264.06
IUPAC Name2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc(F)cc(S(C)(=O)=O)c1F
InChIInChI=1S/C11H14F2O3S/c1-11(2,6-14)8-4-7(12)5-9(10(8)13)17(3,15)16/h4-5,14H,6H2,1-3H3
InChIKeySBBSHKHCHYWCMR-UHFFFAOYSA-N
XLogP1.64
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol (CID 117414933) is 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol is CC(C)(CO)c1cc(F)cc(S(C)(=O)=O)c1F.
What is the InChIKey of 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol?
The InChIKey is SBBSHKHCHYWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3S/c1-11(2,6-14)8-4-7(12)5-9(10(8)13)17(3,15)16/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol?
2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol has a molecular weight of 264.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-3-methylsulfonylphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 117414933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).