3,3-difluoropropane-1-thiol

C3H6F2S — CID 56985309

IUPAC3,3-difluoropropane-1-thiol
SMILESFC(F)CCS
InChIInChI=1S/C3H6F2S/c4-3(5)1-2-6/h3,6H,1-2H2
InChIKeyUGUNOLQZVPBIBJ-UHFFFAOYSA-N
MW112.14 g/mol
LogP1.57
Rot. Bonds2

About 3,3-difluoropropane-1-thiol

3,3-difluoropropane-1-thiol (PubChem CID 56985309) has the molecular formula C3H6F2S and a molecular weight of 112.14 g/mol. Its IUPAC name is 3,3-difluoropropane-1-thiol.

Molecular Properties

Compound Name3,3-difluoropropane-1-thiol
PubChem CID56985309
Molecular FormulaC3H6F2S
Molecular Weight112.14 g/mol
Exact Mass112.02
IUPAC Name3,3-difluoropropane-1-thiol
SMILESFC(F)CCS
InChIInChI=1S/C3H6F2S/c4-3(5)1-2-6/h3,6H,1-2H2
InChIKeyUGUNOLQZVPBIBJ-UHFFFAOYSA-N
XLogP1.57
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 3,3-difluoropropane-1-thiol 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-difluoropropane-1-thiol?
The IUPAC name of 3,3-difluoropropane-1-thiol (CID 56985309) is 3,3-difluoropropane-1-thiol.
What is the SMILES notation for 3,3-difluoropropane-1-thiol?
The canonical SMILES for 3,3-difluoropropane-1-thiol is FC(F)CCS.
What is the InChIKey of 3,3-difluoropropane-1-thiol?
The InChIKey is UGUNOLQZVPBIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2S/c4-3(5)1-2-6/h3,6H,1-2H2.
What are the key properties of 3,3-difluoropropane-1-thiol?
3,3-difluoropropane-1-thiol has a molecular weight of 112.14 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropropane-1-thiol is sourced from PubChem (CID 56985309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).