chempirical

Methyl 2-fluoro-3-oxopentanoate

C6H9FO3CAS 180287-02-9148.13 g/mol

Open in Covalent MOL file
OFOO
Alkyl halideEsterKetone

Properties

Molecular formula
C6H9FO3
Molar mass
148.13 g/mol
Exact mass
148.0536 Da
logP
0.48Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
180287-02-9
SMILES
CCC(=O)C(F)C(=O)OC
InChIKey
ZHQHSDROMAJDFS-UHFFFAOYSA-N
InChI
InChI=1S/C6H9FO3/c1-3-4(8)5(7)6(9)10-2/h5H,3H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Pentanoic acid, 2-fluoro-3-oxo-, methyl ester
  • Methyl 2-fluoro-3-oxovalerate
  • 2-Fluoro-3-oxovaleric acid methyl ester
  • 2-Fluoro-3-oxopentanoic acid methyl ester

Work with Methyl 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

Dimethyl succinylsuccinate6289-46-947 % similar Methyl difluoroacetate433-53-447 % similar 1,3-Dimethyl 2-ethylpropanedioate26717-67-944 % similar Diethyl fluoromalonate685-88-142 % similar Methyl cyclopropanecarboxylate2868-37-342 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-242 % similar Dimethyl 1,4-cyclohexanedicarboxylate94-60-042 % similar Methyl 2-oxocyclopentanecarboxylate10472-24-942 % similar

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

Same formula

4-Fluorotetrahydro-2H-pyran-4-carboxylic acid1150617-62-1 Ethyl 2-fluoro-3-oxobutanoate1522-41-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook