Ethyl 2,2-difluoroacetoacetate

C₆H₈F₂O₃CAS 2266-48-0166.12 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

Properties

Molecular formula: C₆H₈F₂O₃
Molar mass: 166.12 g/mol
Exact mass: 166.0442 Da
logP: 0.77Crippen 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

2266-48-0

SMILES

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

InChIKey

NXMSOLWESKBEJJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H8F2O3/c1-3-11-5(10)6(7,8)4(2)9/h3H2,1-2H3

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Names and synonyms

1 names

Ethyl 2,2-difluoro-3-oxobutanoate

Work with Ethyl 2,2-difluoroacetoacetate

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 2,2-difluoromalonate680-65-974 % similar Ethyl 1-acetylcyclopropanecarboxylate32933-03-259 % similar 1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-957 % similar Ethyl trifluoroacetate383-63-157 % similar 2,2-Difluoropropionic acid ethyl ester28781-85-353 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-052 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-852 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-352 % similar

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

Same formula

4,4-Difluoro-3-oxobutanoic acid ethyl ester352-24-9

Elsewhere

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