(2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one

C4H3F3O2S — CID 7128612

IUPAC(2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one
SMILESO=C1CS[C@@H](C(F)(F)F)O1
InChIInChI=1S/C4H3F3O2S/c5-4(6,7)3-9-2(8)1-10-3/h3H,1H2/t3-/m0/s1
InChIKeyBYWPRQGFDWGIGV-VKHMYHEASA-N
MW172.13 g/mol
LogP1.16
Rot. Bonds

About (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one

(2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one (PubChem CID 7128612) has the molecular formula C4H3F3O2S and a molecular weight of 172.13 g/mol. Its IUPAC name is (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name(2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one
PubChem CID7128612
Molecular FormulaC4H3F3O2S
Molecular Weight172.13 g/mol
Exact Mass171.98
IUPAC Name(2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one
SMILESO=C1CS[C@@H](C(F)(F)F)O1
InChIInChI=1S/C4H3F3O2S/c5-4(6,7)3-9-2(8)1-10-3/h3H,1H2/t3-/m0/s1
InChIKeyBYWPRQGFDWGIGV-VKHMYHEASA-N
XLogP1.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.13
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one 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 (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
The IUPAC name of (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one (CID 7128612) is (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one.
What is the SMILES notation for (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
The canonical SMILES for (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one is O=C1CS[C@@H](C(F)(F)F)O1.
What is the InChIKey of (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
The InChIKey is BYWPRQGFDWGIGV-VKHMYHEASA-N. The full InChI is InChI=1S/C4H3F3O2S/c5-4(6,7)3-9-2(8)1-10-3/h3H,1H2/t3-/m0/s1.
What are the key properties of (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
(2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one has a molecular weight of 172.13 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(trifluoromethyl)-1,3-oxathiolan-5-one is sourced from PubChem (CID 7128612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).