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

C3HF5O — CID 57014101

IUPAC2,2-difluoro-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1(F)F
InChIInChI=1S/C3HF5O/c4-2(5,6)1-3(7,8)9-1/h1H
InChIKeyFPFBPFZLHSYBAE-UHFFFAOYSA-N
MW148.03 g/mol
LogP1.54
Rot. Bonds

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

2,2-difluoro-3-(trifluoromethyl)oxirane (PubChem CID 57014101) has the molecular formula C3HF5O and a molecular weight of 148.03 g/mol. Its IUPAC name is 2,2-difluoro-3-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2,2-difluoro-3-(trifluoromethyl)oxirane
PubChem CID57014101
Molecular FormulaC3HF5O
Molecular Weight148.03 g/mol
Exact Mass147.99
IUPAC Name2,2-difluoro-3-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1OC1(F)F
InChIInChI=1S/C3HF5O/c4-2(5,6)1-3(7,8)9-1/h1H
InChIKeyFPFBPFZLHSYBAE-UHFFFAOYSA-N
XLogP1.54
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.03
LogP ≤ 51.54
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-difluoro-3-(trifluoromethyl)oxirane?
The IUPAC name of 2,2-difluoro-3-(trifluoromethyl)oxirane (CID 57014101) is 2,2-difluoro-3-(trifluoromethyl)oxirane.
What is the SMILES notation for 2,2-difluoro-3-(trifluoromethyl)oxirane?
The canonical SMILES for 2,2-difluoro-3-(trifluoromethyl)oxirane is FC(F)(F)C1OC1(F)F.
What is the InChIKey of 2,2-difluoro-3-(trifluoromethyl)oxirane?
The InChIKey is FPFBPFZLHSYBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O/c4-2(5,6)1-3(7,8)9-1/h1H.
What are the key properties of 2,2-difluoro-3-(trifluoromethyl)oxirane?
2,2-difluoro-3-(trifluoromethyl)oxirane has a molecular weight of 148.03 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(trifluoromethyl)oxirane is sourced from PubChem (CID 57014101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).