chempirical

Ethyl 3,3,3-trifluoro-2-oxopropanoate

C5H5F3O3CAS 13081-18-0170.09 g/mol

Open in Covalent MOL file
OOOFFF
Alkyl halideEsterKetone

Properties

Molecular formula
C5H5F3O3
Molar mass
170.09 g/mol
Exact mass
170.0191 Da
logP
0.68Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
13081-18-0
SMILES
CCOC(=O)C(=O)C(F)(F)F
InChIKey
KJHQVUNUOIEYSV-UHFFFAOYSA-N
InChI
InChI=1S/C5H5F3O3/c1-2-11-4(10)3(9)5(6,7)8/h2H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Propanoic acid, 3,3,3-trifluoro-2-oxo-, ethyl ester
  • Pyruvic acid, trifluoro-, ethyl ester
  • Ethyl trifluoropyruvate
  • 3,3,3-Trifluoro-2-oxopropanoic acid ethyl ester
  • Ethyl 2-oxo-3,3,3-trifluoropropanoate
  • Trifluoropyruvic acid ethyl ester
  • Ethyl 3,3,3-trifluoropyruvate

Work with Ethyl 3,3,3-trifluoro-2-oxopropanoate

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

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate571-55-165 % similar Diethyl oxalate95-92-156 % similar Methyl trifluoropyruvate13089-11-755 % similar Ethyl trifluoroacetate383-63-155 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-452 % similar Diethyl oxomalonate609-09-650 % similar Ethyl 2-methyl-4,4,4-trifluorocrotonate128227-97-449 % similar Ethyl 4,4,4-trifluoroacetoacetate372-31-647 % similar

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

Elsewhere

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