2,2,2-Trifluoroethyl formate

C₃H₃F₃O₂CAS 32042-38-9128.05 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₃H₃F₃O₂
Molar mass: 128.05 g/mol
Exact mass: 128.0085 Da
logP: 0.72Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed87% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation10.9% of notifiers

Aggregated from 46 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

32042-38-9

SMILES

C(C(F)(F)F)OC=O

InChIKey

CAFROQYMUICGNO-UHFFFAOYSA-N

InChI

InChI=1S/C3H3F3O2/c4-3(5,6)1-8-2-7/h2H,1H2

Weigh it out

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

Work with 2,2,2-Trifluoroethyl formate

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

Fluroxene406-90-650 % similar 1,1′-Oxybis[2,2,2-trifluoroethane]333-36-843 % similar Glycol diformate629-15-243 % similar 2,2,2-Trifluoroethyl difluoromethyl ether1885-48-940 % similar Bis(2,2,2-trifluoroethyl) maleate352-28-339 % similar Tris(2,2,2-trifluoroethyl)phosphate358-63-438 % similar Ethyl formate109-94-438 % similar 3,3,3-Trifluoropropanal460-40-238 % similar

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

Same formula

3,3,3-Trifluoropropionic acid2516-99-6 Methyl trifluoroacetate431-47-0

Elsewhere

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