Ethyl 2-fluoro-3-oxopentanoate

C₇H₁₁FO₃CAS 759-67-1162.16 g/mol

Open in Covalent MOL file

Alkyl halide Ester Ketone

Properties

Molecular formula: C₇H₁₁FO₃
Molar mass: 162.16 g/mol
Exact mass: 162.0692 Da
logP: 0.87Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

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

759-67-1

SMILES

CCC(=O)C(C(=O)OCC)F

InChIKey

ODPHSEIVAPWGAZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H11FO3/c1-3-5(9)6(8)7(10)11-4-2/h6H,3-4H2,1-2H3

Weigh it out

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Work with Ethyl 2-fluoro-3-oxopentanoate

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 fluoromalonate685-88-171 % similar Methyl 2-fluoro-3-oxopentanoate180287-02-966 % similar Ethyl 2-fluoro-3-oxobutanoate1522-41-461 % similar Ethyl difluoroacetate454-31-955 % similar Ethyl 2-fluoropropionate127306-59-652 % similar Ethyl 2-fluoropropionate349-43-952 % similar Ethyl chlorofluoroacetate401-56-952 % similar Diethyl succinylsuccinate787-07-552 % similar

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

Elsewhere

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