Ethyl 2-chloro-4,4,4-trifluoroacetoacetate

C₆H₆ClF₃O₃CAS 363-58-6218.56 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

Properties

Molecular formula: C₆H₆ClF₃O₃
Molar mass: 218.56 g/mol
Exact mass: 217.9958 Da
logP: 1.29Crippen 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

363-58-6

SMILES

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

InChIKey

YVWUNJVPOCYLIM-UHFFFAOYSA-N

InChI

InChI=1S/C6H6ClF3O3/c1-2-13-5(12)3(7)4(11)6(8,9)10/h3H,2H2,1H3

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Names and synonyms

1 names

Ethyl 2-chloro-4,4,4-trifluoro-3-oxobutanoate

Work with Ethyl 2-chloro-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

1,3-Diethyl 2-chloropropanedioate14064-10-967 % similar Ethyl 2-methyl-4,4,4-trifluoroacetoacetate344-00-363 % similar Ethyl 2-chloroacetoacetate609-15-457 % similar Diethyl 2-chloro-3-oxobutanedioate34034-87-254 % similar Ethyl chlorofluoroacetate401-56-953 % similar Ethyl 2-chloro-3-oxopropanoate33142-21-153 % similar Ethyl 3,3-difluorocyclobutane-1-carboxylate681128-38-149 % similar Ethyl 2-chloropropionate535-13-749 % similar

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

Elsewhere

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