2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide

C3HF6IO — CID 87757083

IUPAC2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide
SMILESFC(F)(F)C1(F)OC1(F)F.I
InChIInChI=1S/C3F6O.HI/c4-1(2(5,6)7)3(8,9)10-1;/h;1H
InChIKeyVXKCKQGNTCAOOU-UHFFFAOYSA-N
MW293.93 g/mol
LogP2.46
Rot. Bonds

About 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide

2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide (PubChem CID 87757083) has the molecular formula C3HF6IO and a molecular weight of 293.93 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide
PubChem CID87757083
Molecular FormulaC3HF6IO
Molecular Weight293.93 g/mol
Exact Mass293.90
IUPAC Name2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide
SMILESFC(F)(F)C1(F)OC1(F)F.I
InChIInChI=1S/C3F6O.HI/c4-1(2(5,6)7)3(8,9)10-1;/h;1H
InChIKeyVXKCKQGNTCAOOU-UHFFFAOYSA-N
XLogP2.46
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.93
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide 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 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide?
The IUPAC name of 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide (CID 87757083) is 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide.
What is the SMILES notation for 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide?
The canonical SMILES for 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide is FC(F)(F)C1(F)OC1(F)F.I.
What is the InChIKey of 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide?
The InChIKey is VXKCKQGNTCAOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F6O.HI/c4-1(2(5,6)7)3(8,9)10-1;/h;1H.
What are the key properties of 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide?
2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide has a molecular weight of 293.93 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(trifluoromethyl)oxirane;hydroiodide is sourced from PubChem (CID 87757083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).