2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide

C4H4F4O3S — CID 150207333

IUPAC2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide
SMILESO=S1(=O)CCOC1(F)C(F)(F)F
InChIInChI=1S/C4H4F4O3S/c5-3(6,7)4(8)11-1-2-12(4,9)10/h1-2H2
InChIKeyFQTFNJYAVZPVDE-UHFFFAOYSA-N
MW208.13 g/mol
LogP0.62
Rot. Bonds

About 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide

2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide (PubChem CID 150207333) has the molecular formula C4H4F4O3S and a molecular weight of 208.13 g/mol. Its IUPAC name is 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide.

Molecular Properties

Compound Name2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide
PubChem CID150207333
Molecular FormulaC4H4F4O3S
Molecular Weight208.13 g/mol
Exact Mass207.98
IUPAC Name2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide
SMILESO=S1(=O)CCOC1(F)C(F)(F)F
InChIInChI=1S/C4H4F4O3S/c5-3(6,7)4(8)11-1-2-12(4,9)10/h1-2H2
InChIKeyFQTFNJYAVZPVDE-UHFFFAOYSA-N
XLogP0.62
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide 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-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide?
The IUPAC name of 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide (CID 150207333) is 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide.
What is the SMILES notation for 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide?
The canonical SMILES for 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide is O=S1(=O)CCOC1(F)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide?
The InChIKey is FQTFNJYAVZPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F4O3S/c5-3(6,7)4(8)11-1-2-12(4,9)10/h1-2H2.
What are the key properties of 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide?
2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide has a molecular weight of 208.13 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(trifluoromethyl)-1,3-oxathiolane 3,3-dioxide is sourced from PubChem (CID 150207333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).