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

C5H5F3O2S — CID 14812103

IUPAC2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one
SMILESCC1(C(F)(F)F)OC(=O)CS1
InChIInChI=1S/C5H5F3O2S/c1-4(5(6,7)8)10-3(9)2-11-4/h2H2,1H3
InChIKeyGYJJQFIETLFCLT-UHFFFAOYSA-N
MW186.15 g/mol
LogP1.55
Rot. Bonds

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

2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one (PubChem CID 14812103) has the molecular formula C5H5F3O2S and a molecular weight of 186.15 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one
PubChem CID14812103
Molecular FormulaC5H5F3O2S
Molecular Weight186.15 g/mol
Exact Mass186.00
IUPAC Name2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one
SMILESCC1(C(F)(F)F)OC(=O)CS1
InChIInChI=1S/C5H5F3O2S/c1-4(5(6,7)8)10-3(9)2-11-4/h2H2,1H3
InChIKeyGYJJQFIETLFCLT-UHFFFAOYSA-N
XLogP1.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-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 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
The IUPAC name of 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one (CID 14812103) is 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one is CC1(C(F)(F)F)OC(=O)CS1.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
The InChIKey is GYJJQFIETLFCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2S/c1-4(5(6,7)8)10-3(9)2-11-4/h2H2,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one?
2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one has a molecular weight of 186.15 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)-1,3-oxathiolan-5-one is sourced from PubChem (CID 14812103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).