chempirical

Methyl trifluoropyruvate

C4H3F3O3CAS 13089-11-7156.06 g/mol

Open in Covalent MOL file
OOOFFF
Alkyl halideEsterKetone

Properties

Molecular formula
C4H3F3O3
Molar mass
156.06 g/mol
Exact mass
156.0034 Da
logP
0.29Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
13089-11-7
SMILES
COC(=O)C(=O)C(F)(F)F
InChIKey
XGLLQDIWQRQROJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H3F3O3/c1-10-3(9)2(8)4(5,6)7/h1H3

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Names and synonyms

1 names
  • Methyl 3,3,3-trifluoro-2-oxopropanoate

Work with Methyl trifluoropyruvate

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 3,3,3-trifluoro-2-oxopropanoate13081-18-055 % similar Methyl 3,3-difluoro-2-(trifluoromethyl)acrylate685-09-655 % similar Methyl trifluoroacetate431-47-050 % similar Dimethyl oxalate553-90-250 % similar Methyl 2-fluoroacrylate2343-89-741 % similar Methyl pyruvate600-22-641 % similar Ethyl 2-(ethoxymethylene)-4,4,4-trifluoro-3-oxobutanoate571-55-139 % similar Dimethyl difluoromalonate379-95-339 % similar

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

Elsewhere

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