chempirical

Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate

C9H11F3O4CAS 571-55-1240.18 g/mol

Open in Covalent MOL file
OOOOFFF
AlkeneAlkyl halideEsterEtherKetone

Properties

Molecular formula
C9H11F3O4
Molar mass
240.18 g/mol
Exact mass
240.0609 Da
Density
1.239 g/mL (at 25 °C)
Boiling point
115–120 °C (at 10 Torr)
logP
1.60Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
5

Identifiers

CAS number
571-55-1
SMILES
CCOC=C(C(=O)OCC)C(=O)C(F)(F)F
InChIKey
XNGGOXOLHQANRB-UHFFFAOYSA-N
InChI
InChI=1S/C9H11F3O4/c1-3-15-5-6(8(14)16-4-2)7(13)9(10,11)12/h5H,3-4H2,1-2H3

Weigh it out

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

Names and synonyms

10 names
  • Ethyl 3-(ethyloxy)-2-(trifluoroacetyl)-2-propenoate
  • Ethyl 2-(Ethoxymethylidene)-4,4,4-trifluoro-3-oxobutanoate
  • Ethyl 3-ethoxy-2-(trifluoroacetyl)acrylate
  • Ethyl 4,4,4-trifluoro-2-(ethoxymethylene)-3-oxobutanoate
  • Butanoic acid, 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxo-, ethyl ester
  • Acetoacetic acid, 2-(ethoxymethylene)-4,4,4-trifluoro-, ethyl ester
  • 2-Ethoxymethylene-3-oxo-4,4,4-trifluorobutyric acid ethyl ester
  • Ethyl 2-ethoxymethylene-4,4,4-trifluoroacetoacetate
  • Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutyrate
  • 2-Ethoxymethylene-4,4,4-trifluoroacetoacetic acid ethyl ester

Work with Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate

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

Diethyl (ethoxymethylene)malonate87-13-867 % similar Ethyl 3,3,3-trifluoro-2-oxopropanoate13081-18-065 % similar Ethyl 2-(ethoxymethylene)acetoacetate3788-94-158 % similar Ethyl (ethoxymethylene)cyanoacetate94-05-345 % similar (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one59938-06-645 % similar Ethyl trifluoroacetate383-63-143 % similar Ethyl 2-methyl-4,4,4-trifluorocrotonate128227-97-443 % similar Diethyl oxalate95-92-142 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook