2,2-difluorooxirane

C2H2F2O — CID 19829575

IUPAC2,2-difluorooxirane
SMILESFC1(F)CO1
InChIInChI=1S/C2H2F2O/c3-2(4)1-5-2/h1H2
InChIKeyISBGUXAPKYJNKB-UHFFFAOYSA-N
MW80.03 g/mol
LogP0.61
Rot. Bonds

About 2,2-difluorooxirane

2,2-difluorooxirane (PubChem CID 19829575) has the molecular formula C2H2F2O and a molecular weight of 80.03 g/mol. Its IUPAC name is 2,2-difluorooxirane.

Molecular Properties

Compound Name2,2-difluorooxirane
PubChem CID19829575
Molecular FormulaC2H2F2O
Molecular Weight80.03 g/mol
Exact Mass80.01
IUPAC Name2,2-difluorooxirane
SMILESFC1(F)CO1
InChIInChI=1S/C2H2F2O/c3-2(4)1-5-2/h1H2
InChIKeyISBGUXAPKYJNKB-UHFFFAOYSA-N
XLogP0.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.03
LogP ≤ 50.61
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 2,2-difluorooxirane?
The IUPAC name of 2,2-difluorooxirane (CID 19829575) is 2,2-difluorooxirane.
What is the SMILES notation for 2,2-difluorooxirane?
The canonical SMILES for 2,2-difluorooxirane is FC1(F)CO1.
What is the InChIKey of 2,2-difluorooxirane?
The InChIKey is ISBGUXAPKYJNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F2O/c3-2(4)1-5-2/h1H2.
What are the key properties of 2,2-difluorooxirane?
2,2-difluorooxirane has a molecular weight of 80.03 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorooxirane is sourced from PubChem (CID 19829575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).