2-(difluoromethyl)oxirane

C3H4F2O — CID 86215874

IUPAC2-(difluoromethyl)oxirane
SMILESFC(F)C1CO1
InChIInChI=1S/C3H4F2O/c4-3(5)2-1-6-2/h2-3H,1H2
InChIKeyFTCQYMALCXGFFQ-UHFFFAOYSA-N
MW94.06 g/mol
LogP0.65
Rot. Bonds1

About 2-(difluoromethyl)oxirane

2-(difluoromethyl)oxirane (PubChem CID 86215874) has the molecular formula C3H4F2O and a molecular weight of 94.06 g/mol. Its IUPAC name is 2-(difluoromethyl)oxirane.

Molecular Properties

Compound Name2-(difluoromethyl)oxirane
PubChem CID86215874
Molecular FormulaC3H4F2O
Molecular Weight94.06 g/mol
Exact Mass94.02
IUPAC Name2-(difluoromethyl)oxirane
SMILESFC(F)C1CO1
InChIInChI=1S/C3H4F2O/c4-3(5)2-1-6-2/h2-3H,1H2
InChIKeyFTCQYMALCXGFFQ-UHFFFAOYSA-N
XLogP0.65
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.06
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)oxirane?
The IUPAC name of 2-(difluoromethyl)oxirane (CID 86215874) is 2-(difluoromethyl)oxirane.
What is the SMILES notation for 2-(difluoromethyl)oxirane?
The canonical SMILES for 2-(difluoromethyl)oxirane is FC(F)C1CO1.
What is the InChIKey of 2-(difluoromethyl)oxirane?
The InChIKey is FTCQYMALCXGFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4F2O/c4-3(5)2-1-6-2/h2-3H,1H2.
What are the key properties of 2-(difluoromethyl)oxirane?
2-(difluoromethyl)oxirane has a molecular weight of 94.06 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)oxirane is sourced from PubChem (CID 86215874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).