2-(Trifluoromethyl)oxirane

C₃H₃F₃OCAS 359-41-1112.05 g/mol

Open in Covalent MOL file

Alkyl halide Epoxide Ether

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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor90.9% of notifiers
H302 Harmful if swallowed90.9% of notifiers
H312 Harmful in contact with skin81.8% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled81.8% of notifiers
H335 May cause respiratory irritation90.9% of notifiers

Aggregated from 11 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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