3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester

C₁₁H₁₁FO₃CAS 1479-24-9210.20 g/mol

Open in Covalent MOL file

Aryl halide Ester Ketone

Properties

Molecular formula: C₁₁H₁₁FO₃
Molar mass: 210.20 g/mol
Exact mass: 210.0692 Da
logP: 1.96Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

1479-24-9

SMILES

CCOC(=O)CC(=O)C1=CC=CC=C1F

InChIKey

YMUNUVJSNWUWDA-UHFFFAOYSA-N

InChI

InChI=1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3

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Names and synonyms

1 names

Ethyl 3-(2-fluorophenyl)-3-oxopropanoate

Work with 3-(2-Fluoro-phenyl)-3-oxo-propionic acid ethyl ester

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 2-methyl-β-oxobenzenepropanoate51725-82-768 % similar Ethyl 2,4,5-trifluoro-β-oxobenzenepropanoate98349-24-768 % similar Ethyl 2,3,4,5-tetrafluoro-β-oxobenzenepropanoate94695-50-863 % similar Ethyl benzoylacetate94-02-062 % similar Ethyl 3-(3-chloro-2,4,5-trifluorophenyl)-3-oxopropanoate101987-86-457 % similar Ethyl 3-oxo-3-(pyridin-2-yl)propanoate26510-52-155 % similar 3-Oxo-3-thiophen-2-yl-propionic acid ethyl ester13669-10-853 % similar Ethyl 3-(4-pyridyl)-3-oxopropionate26377-17-351 % similar

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

Same formula

4-Fluoro-δ-oxobenzenepentanoic acid149437-76-3 Ethyl 4-fluoro-β-oxobenzenepropanoate1999-00-4

Elsewhere

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