chempirical

2,2,2-Trifluoroethyl trifluoroacetate

C4H2F6O2CAS 407-38-5196.05 g/mol

Open in Covalent MOL file
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Alkyl halideEster

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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 Allyl trifluoroacetate383-67-550 % 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 2,2,2-Trifluoroethyl butanoate371-27-744 % similar 2,2,2-Trifluoroethyl methacrylate352-87-442 % similar

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

Elsewhere

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