2-(trifluoromethyl)oxirane

C3H3F3O — CID 520769

IUPAC2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1CO1
InChIInChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChIKeyAQZRARFZZMGLHL-UHFFFAOYSA-N
MW112.05 g/mol
LogP0.95
Rot. Bonds

About 2-(trifluoromethyl)oxirane

2-(trifluoromethyl)oxirane (PubChem CID 520769) has the molecular formula C3H3F3O and a molecular weight of 112.05 g/mol. Its IUPAC name is 2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-(trifluoromethyl)oxirane
PubChem CID520769
Molecular FormulaC3H3F3O
Molecular Weight112.05 g/mol
Exact Mass112.01
IUPAC Name2-(trifluoromethyl)oxirane
SMILESFC(F)(F)C1CO1
InChIInChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2
InChIKeyAQZRARFZZMGLHL-UHFFFAOYSA-N
XLogP0.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
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'}

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Related Compounds

1,2-Epoxy-3-fluoropropane
CID 10418
(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
(2S)-2-(difluoromethyl)oxirane
CID 140883492

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)oxirane?
The IUPAC name of 2-(trifluoromethyl)oxirane (CID 520769) is 2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-(trifluoromethyl)oxirane is FC(F)(F)C1CO1.
What is the InChIKey of 2-(trifluoromethyl)oxirane?
The InChIKey is AQZRARFZZMGLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2.
What are the key properties of 2-(trifluoromethyl)oxirane?
2-(trifluoromethyl)oxirane has a molecular weight of 112.05 g/mol, XLogP of 0.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)oxirane is sourced from PubChem (CID 520769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).