chempirical

Ethyl fluoroacetate

C4H7FO2CAS 459-72-3106.10 g/mol

Open in Covalent MOL file
OOF
Alkyl halideEster

Properties

Molecular formula
C4H7FO2
Molar mass
106.10 g/mol
Exact mass
106.0430 Da
Density
1.0926 g/mL (at 20.5 °C)
Boiling point
121.6 °C (at 758 Torr)
logP
0.52Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
459-72-3
SMILES
CCOC(=O)CF
InChIKey
VCYZVXRKYPKDQB-UHFFFAOYSA-N
InChI
InChI=1S/C4H7FO2/c1-2-7-4(6)3-5/h2-3H2,1H3

Weigh it out

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

Names and synonyms

7 names
  • Acetic acid, 2-fluoro-, ethyl ester
  • Acetic acid, fluoro-, ethyl ester
  • Ethyl monofluoroacetate
  • Monofluoroacetic acid ethyl ester
  • NSC 133459
  • Fluoroacetic acid ethyl ester
  • Ethyl 2-fluoroacetate

Work with Ethyl fluoroacetate

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 malonate105-53-361 % similar Ethyl propionate105-37-358 % similar Diethyl glutarate818-38-258 % similar Butyl 2-fluoroacetate371-49-357 % similar Ethyl bromoacetate105-36-254 % similar Ethyl chloroacetate105-39-554 % similar Diethyl 1,3-acetonedicarboxylate105-50-054 % similar Ethyl butyrate105-54-454 % similar

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

Same formula

4-Fluorobutanoic acid462-23-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook