Ethyl 2-fluoro-3-oxobutanoate

C₆H₉FO₃CAS 1522-41-4148.13 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

Properties

Molecular formula: C₆H₉FO₃
Molar mass: 148.13 g/mol
Exact mass: 148.0536 Da
Boiling point: 102 °C (at 53 Torr)
logP: 0.48Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

1522-41-4

SMILES

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

InChIKey

SHTFQLHOTAJQRJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H9FO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

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Names and synonyms

7 names

Butanoic acid, 2-fluoro-3-oxo-, ethyl ester
Acetoacetic acid, 2-fluoro-, ethyl ester
Acetoacetic acid, fluoro-, ethyl ester
Ethyl 2-fluoro-3-oxobutyrate
Ethyl 2-fluoroacetoacetate
NSC 24563
2-Fluoro-3-oxobutanoic acid ethyl ester

Work with Ethyl 2-fluoro-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 fluoromalonate685-88-174 % similar Ethyl diacetylacetate603-69-063 % similar Ethyl 2-methylacetoacetate609-14-359 % similar Ethyl 2-ethylacetoacetate607-97-658 % similar Ethyl 2-chloroacetoacetate609-15-458 % similar Ethyl difluoroacetate454-31-957 % similar Ethyl 2-fluoropropionate127306-59-653 % similar Ethyl chlorofluoroacetate401-56-953 % similar

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

Same formula

4-Fluorotetrahydro-2H-pyran-4-carboxylic acid1150617-62-1 Methyl 2-fluoro-3-oxopentanoate180287-02-9

Elsewhere

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