chempirical

2-(Trifluoromethyl)oxirane

C3H3F3OCAS 359-41-1112.05 g/mol

Open in Covalent MOL file
FFFO
Alkyl halideEpoxideEther

Properties

Molecular formula
C3H3F3O
Molar mass
112.05 g/mol
Exact mass
112.0136 Da
Density
1.382 g/mL (at 20 °C)
Boiling point
39.1–39.3 °C (at 748.3 Torr)
logP
0.95Crippen estimate
Polar surface area
12.5 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
359-41-1
SMILES
FC(F)(F)C1CO1
InChIKey
AQZRARFZZMGLHL-UHFFFAOYSA-N
InChI
InChI=1S/C3H3F3O/c4-3(5,6)2-1-7-2/h2H,1H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names
  • Oxirane, 2-(trifluoromethyl)-
  • Propane, 2,3-epoxy-1,1,1-trifluoro-
  • Oxirane, (trifluoromethyl)-
  • 1,2-Epoxy-3,3,3-trifluoropropane
  • 3,3,3-Trifluoro-1,2-epoxypropane
  • 3,3,3-Trifluoropropene oxide
  • 3,3,3-Trifluoropropene epoxide
  • 3,3,3-Trifluoropropylene oxide
  • Trifluoromethyloxirane
  • 1,1,1-Trifluoro-2,3-epoxypropane
  • 2-Trifluoromethyloxirane
  • Trifluoroepoxypropane

Work with 2-(Trifluoromethyl)oxirane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Sevoflurane28523-86-639 % similar 2,3-Dibromo-1,1,1-trifluoropropane431-21-033 % similar Trifluoroacetaldehyde ethyl hemiacetal433-27-233 % similar Isoflurothyl13171-18-130 % similar Pentafluoroethane354-33-630 % similar 1,1,1,2,3,3,3-Heptafluoropropane431-89-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Trifluoroacetone421-50-1 3,3,3-Trifluoropropanal460-40-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook