4-(trifluoromethyl)-1,3-dioxol-2-one

C4HF3O3 — CID 21102674

IUPAC4-(trifluoromethyl)-1,3-dioxol-2-one
SMILESO=c1occ(C(F)(F)F)o1
InChIInChI=1S/C4HF3O3/c5-4(6,7)2-1-9-3(8)10-2/h1H
InChIKeyHHEHBDIJKBHWLO-UHFFFAOYSA-N
MW154.04 g/mol
LogP1.25
Rot. Bonds

About 4-(trifluoromethyl)-1,3-dioxol-2-one

4-(trifluoromethyl)-1,3-dioxol-2-one (PubChem CID 21102674) has the molecular formula C4HF3O3 and a molecular weight of 154.04 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-dioxol-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-dioxol-2-one
PubChem CID21102674
Molecular FormulaC4HF3O3
Molecular Weight154.04 g/mol
Exact Mass153.99
IUPAC Name4-(trifluoromethyl)-1,3-dioxol-2-one
SMILESO=c1occ(C(F)(F)F)o1
InChIInChI=1S/C4HF3O3/c5-4(6,7)2-1-9-3(8)10-2/h1H
InChIKeyHHEHBDIJKBHWLO-UHFFFAOYSA-N
XLogP1.25
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(trifluoromethyl)-1,3-dioxol-2-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 4-(trifluoromethyl)-1,3-dioxol-2-one?
The IUPAC name of 4-(trifluoromethyl)-1,3-dioxol-2-one (CID 21102674) is 4-(trifluoromethyl)-1,3-dioxol-2-one.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-dioxol-2-one?
The canonical SMILES for 4-(trifluoromethyl)-1,3-dioxol-2-one is O=c1occ(C(F)(F)F)o1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-dioxol-2-one?
The InChIKey is HHEHBDIJKBHWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF3O3/c5-4(6,7)2-1-9-3(8)10-2/h1H.
What are the key properties of 4-(trifluoromethyl)-1,3-dioxol-2-one?
4-(trifluoromethyl)-1,3-dioxol-2-one has a molecular weight of 154.04 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-dioxol-2-one is sourced from PubChem (CID 21102674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).