4-(trifluoromethyl)furan-2-thiol

C5H3F3OS — CID 139909776

IUPAC4-(trifluoromethyl)furan-2-thiol
SMILESFC(F)(F)c1coc(S)c1
InChIInChI=1S/C5H3F3OS/c6-5(7,8)3-1-4(10)9-2-3/h1-2,10H
InChIKeyVWAASOAPWJPELM-UHFFFAOYSA-N
MW168.14 g/mol
LogP2.59
Rot. Bonds

About 4-(trifluoromethyl)furan-2-thiol

4-(trifluoromethyl)furan-2-thiol (PubChem CID 139909776) has the molecular formula C5H3F3OS and a molecular weight of 168.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)furan-2-thiol.

Molecular Properties

Compound Name4-(trifluoromethyl)furan-2-thiol
PubChem CID139909776
Molecular FormulaC5H3F3OS
Molecular Weight168.14 g/mol
Exact Mass167.99
IUPAC Name4-(trifluoromethyl)furan-2-thiol
SMILESFC(F)(F)c1coc(S)c1
InChIInChI=1S/C5H3F3OS/c6-5(7,8)3-1-4(10)9-2-3/h1-2,10H
InChIKeyVWAASOAPWJPELM-UHFFFAOYSA-N
XLogP2.59
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(trifluoromethyl)furan-2-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 4-(trifluoromethyl)furan-2-thiol?
The IUPAC name of 4-(trifluoromethyl)furan-2-thiol (CID 139909776) is 4-(trifluoromethyl)furan-2-thiol.
What is the SMILES notation for 4-(trifluoromethyl)furan-2-thiol?
The canonical SMILES for 4-(trifluoromethyl)furan-2-thiol is FC(F)(F)c1coc(S)c1.
What is the InChIKey of 4-(trifluoromethyl)furan-2-thiol?
The InChIKey is VWAASOAPWJPELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3OS/c6-5(7,8)3-1-4(10)9-2-3/h1-2,10H.
What are the key properties of 4-(trifluoromethyl)furan-2-thiol?
4-(trifluoromethyl)furan-2-thiol has a molecular weight of 168.14 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)furan-2-thiol is sourced from PubChem (CID 139909776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).