3,4,5-trifluorothian-2-ol

C5H7F3OS — CID 175058582

IUPAC3,4,5-trifluorothian-2-ol
SMILESOC1SCC(F)C(F)C1F
InChIInChI=1S/C5H7F3OS/c6-2-1-10-5(9)4(8)3(2)7/h2-5,9H,1H2
InChIKeyBOLHFICPORGQKE-UHFFFAOYSA-N
MW172.17 g/mol
LogP1.07
Rot. Bonds

About 3,4,5-trifluorothian-2-ol

3,4,5-trifluorothian-2-ol (PubChem CID 175058582) has the molecular formula C5H7F3OS and a molecular weight of 172.17 g/mol. Its IUPAC name is 3,4,5-trifluorothian-2-ol.

Molecular Properties

Compound Name3,4,5-trifluorothian-2-ol
PubChem CID175058582
Molecular FormulaC5H7F3OS
Molecular Weight172.17 g/mol
Exact Mass172.02
IUPAC Name3,4,5-trifluorothian-2-ol
SMILESOC1SCC(F)C(F)C1F
InChIInChI=1S/C5H7F3OS/c6-2-1-10-5(9)4(8)3(2)7/h2-5,9H,1H2
InChIKeyBOLHFICPORGQKE-UHFFFAOYSA-N
XLogP1.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.17
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,4,5-trifluorothian-2-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 3,4,5-trifluorothian-2-ol?
The IUPAC name of 3,4,5-trifluorothian-2-ol (CID 175058582) is 3,4,5-trifluorothian-2-ol.
What is the SMILES notation for 3,4,5-trifluorothian-2-ol?
The canonical SMILES for 3,4,5-trifluorothian-2-ol is OC1SCC(F)C(F)C1F.
What is the InChIKey of 3,4,5-trifluorothian-2-ol?
The InChIKey is BOLHFICPORGQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3OS/c6-2-1-10-5(9)4(8)3(2)7/h2-5,9H,1H2.
What are the key properties of 3,4,5-trifluorothian-2-ol?
3,4,5-trifluorothian-2-ol has a molecular weight of 172.17 g/mol, XLogP of 1.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluorothian-2-ol is sourced from PubChem (CID 175058582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).