chempirical

Ethyl trifluoroacetate

C4H5F3O2CAS 383-63-1142.08 g/mol

Open in Covalent MOL file
OOFFF
Alkyl halideEster

Properties

Molecular formula
C4H5F3O2
Molar mass
142.08 g/mol
Exact mass
142.0242 Da
Density
1.1952 g/mL (at 16.7 °C)
Boiling point
61 °C
logP
1.11Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
383-63-1
SMILES
CCOC(=O)C(F)(F)F
InChIKey
STSCVKRWJPWALQ-UHFFFAOYSA-N
InChI
InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

Weigh it out

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

Names and synonyms

8 names
  • Acetic acid, 2,2,2-trifluoro-, ethyl ester
  • Acetic acid, trifluoro-, ethyl ester
  • Ethyl perfluoroacetate
  • Trifluoroacetic acid ethyl ester
  • NSC 220215
  • Ethyl α,α,α-trifluoroacetate
  • Ethyl 2,2,2-trifluoroacetate
  • 7: PN: WO2007101224 PAGE: 36 claimed sequence

Work with Ethyl 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

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-968 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-061 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-861 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-361 % similar Ethyl bromodifluoroacetate667-27-661 % similar Butyl 2,2,2-trifluoroacetate367-64-659 % similar Diethyl 1,1-cyclopropanedicarboxylate1559-02-058 % similar Ethyl pivalate3938-95-258 % similar

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

Same formula

4,4,4-Trifluorobutanoic acid406-93-9

Elsewhere

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