Ethyl 2-methyl-4,4,4-trifluoroacetoacetate

C₇H₉F₃O₃CAS 344-00-3198.14 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

Properties

Molecular formula: C₇H₉F₃O₃
Molar mass: 198.14 g/mol
Exact mass: 198.0504 Da
logP: 1.32Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

344-00-3

SMILES

CCOC(=O)C(C)C(=O)C(F)(F)F

InChIKey

YLRGPBKEZVHOAW-UHFFFAOYSA-N

InChI

InChI=1S/C7H9F3O3/c1-3-13-6(12)4(2)5(11)7(8,9)10/h4H,3H2,1-2H3

Weigh it out

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Work with Ethyl 2-methyl-4,4,4-trifluoroacetoacetate

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 methylmalonate609-08-566 % similar Ethyl 2-chloro-4,4,4-trifluoroacetoacetate363-58-663 % similar Ethyl 2-methylacetoacetate609-14-356 % similar 1,4-Diethyl 2-methyl-3-oxobutanedioate759-65-953 % similar Ethyl 2-methyl-4,4,4-trifluorobutyrate136564-76-651 % similar Ethyl 2-fluoropropionate127306-59-650 % similar Ethyl 2-fluoropropionate349-43-950 % similar Ethyl chlorofluoroacetate401-56-950 % similar

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

Same formula

Isopropyl 4,4,4-trifluoroacetoacetate175230-50-9

Elsewhere

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