2,2-difluoro-3-(fluoromethyl)oxirane

C3H3F3O — CID 20778330

IUPAC2,2-difluoro-3-(fluoromethyl)oxirane
SMILESFCC1OC1(F)F
InChIInChI=1S/C3H3F3O/c4-1-2-3(5,6)7-2/h2H,1H2
InChIKeyFQDWWHVPJUMECY-UHFFFAOYSA-N
MW112.05 g/mol
LogP0.95
Rot. Bonds1

About 2,2-difluoro-3-(fluoromethyl)oxirane

2,2-difluoro-3-(fluoromethyl)oxirane (PubChem CID 20778330) has the molecular formula C3H3F3O and a molecular weight of 112.05 g/mol. Its IUPAC name is 2,2-difluoro-3-(fluoromethyl)oxirane.

Molecular Properties

Compound Name2,2-difluoro-3-(fluoromethyl)oxirane
PubChem CID20778330
Molecular FormulaC3H3F3O
Molecular Weight112.05 g/mol
Exact Mass112.01
IUPAC Name2,2-difluoro-3-(fluoromethyl)oxirane
SMILESFCC1OC1(F)F
InChIInChI=1S/C3H3F3O/c4-1-2-3(5,6)7-2/h2H,1H2
InChIKeyFQDWWHVPJUMECY-UHFFFAOYSA-N
XLogP0.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.05
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-3-(fluoromethyl)oxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Epoxy-3-fluoropropane
CID 10418
2-(Trifluoromethyl)oxirane
CID 520769
(2S)-2-(Fluoromethyl)oxirane
CID 6999953
(2R)-2-(trifluoromethyl)oxirane
CID 7016923
(2S)-2-(Trifluoromethyl)oxirane
CID 7171781
2-Fluoro-2-(trifluoromethyl)oxirane
CID 88593725
2-(2,2,2-Trifluoroethyl)oxirane
CID 2782635
2-(Difluoromethyl)oxirane
CID 86215874
(R)-2-(Fluoromethyl)oxirane
CID 6992623
(2R)-2-(2,2,2-Trifluoroethyl)oxirane
CID 7016903
2-(Pentafluoroethyl)oxirane
CID 23089516
(R)-2-(Difluoromethyl)oxirane
CID 137958538

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(fluoromethyl)oxirane?
The IUPAC name of 2,2-difluoro-3-(fluoromethyl)oxirane (CID 20778330) is 2,2-difluoro-3-(fluoromethyl)oxirane.
What is the SMILES notation for 2,2-difluoro-3-(fluoromethyl)oxirane?
The canonical SMILES for 2,2-difluoro-3-(fluoromethyl)oxirane is FCC1OC1(F)F.
What is the InChIKey of 2,2-difluoro-3-(fluoromethyl)oxirane?
The InChIKey is FQDWWHVPJUMECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O/c4-1-2-3(5,6)7-2/h2H,1H2.
What are the key properties of 2,2-difluoro-3-(fluoromethyl)oxirane?
2,2-difluoro-3-(fluoromethyl)oxirane has a molecular weight of 112.05 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(fluoromethyl)oxirane is sourced from PubChem (CID 20778330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).