2,2-difluoro-3-methylsulfanylpropan-1-ol

C4H8F2OS — CID 163592080

IUPAC2,2-difluoro-3-methylsulfanylpropan-1-ol
SMILESCSCC(F)(F)CO
InChIInChI=1S/C4H8F2OS/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKeyGQIPMWBCUIHRGS-UHFFFAOYSA-N
MW142.17 g/mol
LogP0.98
Rot. Bonds3

About 2,2-difluoro-3-methylsulfanylpropan-1-ol

2,2-difluoro-3-methylsulfanylpropan-1-ol (PubChem CID 163592080) has the molecular formula C4H8F2OS and a molecular weight of 142.17 g/mol. Its IUPAC name is 2,2-difluoro-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-methylsulfanylpropan-1-ol
PubChem CID163592080
Molecular FormulaC4H8F2OS
Molecular Weight142.17 g/mol
Exact Mass142.03
IUPAC Name2,2-difluoro-3-methylsulfanylpropan-1-ol
SMILESCSCC(F)(F)CO
InChIInChI=1S/C4H8F2OS/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3
InChIKeyGQIPMWBCUIHRGS-UHFFFAOYSA-N
XLogP0.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-methylsulfanylpropan-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-difluoro-3-methylsulfanylpropan-1-ol?
The IUPAC name of 2,2-difluoro-3-methylsulfanylpropan-1-ol (CID 163592080) is 2,2-difluoro-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 2,2-difluoro-3-methylsulfanylpropan-1-ol is CSCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-methylsulfanylpropan-1-ol?
The InChIKey is GQIPMWBCUIHRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2OS/c1-8-3-4(5,6)2-7/h7H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-3-methylsulfanylpropan-1-ol?
2,2-difluoro-3-methylsulfanylpropan-1-ol has a molecular weight of 142.17 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 163592080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).