2,2,2-Trifluoroethyl trifluoroacetate

C₄H₂F₆O₂CAS 407-38-5196.05 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₄H₂F₆O₂
Molar mass: 196.05 g/mol
Exact mass: 195.9959 Da
Density: 1.4725 g/mL (at 18 °C)
Melting point: −65.5 °C
Boiling point: 55 °C
logP: 1.65Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

407-38-5

SMILES

O=C(OCC(F)(F)F)C(F)(F)F

InChIKey

ZKUJOCJJXCPCFS-UHFFFAOYSA-N

InChI

InChI=1S/C4H2F6O2/c5-3(6,7)1-12-2(11)4(8,9)10/h1H2

Weigh it out

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

Names and synonyms

6 names

Acetic acid, 2,2,2-trifluoro-, 2,2,2-trifluoroethyl ester
Acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester
Ethanol, 2,2,2-trifluoro-, trifluoroacetate
Trifluoroethyl trifluoroacetate
2,2,2-Trifluoroethyl 2,2,2-trifluoroacetate
Trifluoroacetic acid 2,2,2-trifluoroethyl ester

Work with 2,2,2-Trifluoroethyl trifluoroacetate

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl trifluoroacetate383-63-156 % similar Bis(2,2,2-trifluoroethyl) maleate352-28-350 % similar Allyl trifluoroacetate383-67-550 % similar 2,2,2-Trifluoroethyl acetate406-95-150 % similar Trifluoroacetic anhydride407-25-050 % similar Butyl 2,2,2-trifluoroacetate367-64-648 % similar 2,2,2-Trifluoroethyl acrylate407-47-645 % similar Methyl trifluoroacetate431-47-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2H-Hexafluoro(2-methylpropanoic acid)564-10-3

Elsewhere

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