3,3-difluoro-4-methylsulfonylbutan-1-ol

C5H10F2O3S — CID 146075390

IUPAC3,3-difluoro-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CC(F)(F)CCO
InChIInChI=1S/C5H10F2O3S/c1-11(9,10)4-5(6,7)2-3-8/h8H,2-4H2,1H3
InChIKeyVMYSVXKMWMSUES-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.05
Rot. Bonds4

About 3,3-difluoro-4-methylsulfonylbutan-1-ol

3,3-difluoro-4-methylsulfonylbutan-1-ol (PubChem CID 146075390) has the molecular formula C5H10F2O3S and a molecular weight of 188.19 g/mol. Its IUPAC name is 3,3-difluoro-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-4-methylsulfonylbutan-1-ol
PubChem CID146075390
Molecular FormulaC5H10F2O3S
Molecular Weight188.19 g/mol
Exact Mass188.03
IUPAC Name3,3-difluoro-4-methylsulfonylbutan-1-ol
SMILESCS(=O)(=O)CC(F)(F)CCO
InChIInChI=1S/C5H10F2O3S/c1-11(9,10)4-5(6,7)2-3-8/h8H,2-4H2,1H3
InChIKeyVMYSVXKMWMSUES-UHFFFAOYSA-N
XLogP0.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-difluoro-4-methylsulfonylbutan-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 3,3-difluoro-4-methylsulfonylbutan-1-ol?
The IUPAC name of 3,3-difluoro-4-methylsulfonylbutan-1-ol (CID 146075390) is 3,3-difluoro-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 3,3-difluoro-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 3,3-difluoro-4-methylsulfonylbutan-1-ol is CS(=O)(=O)CC(F)(F)CCO.
What is the InChIKey of 3,3-difluoro-4-methylsulfonylbutan-1-ol?
The InChIKey is VMYSVXKMWMSUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O3S/c1-11(9,10)4-5(6,7)2-3-8/h8H,2-4H2,1H3.
What are the key properties of 3,3-difluoro-4-methylsulfonylbutan-1-ol?
3,3-difluoro-4-methylsulfonylbutan-1-ol has a molecular weight of 188.19 g/mol, XLogP of 0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 146075390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).