4-Fluorobutyric acid methyl ester

C₅H₉FO₂CAS 406-20-2120.12 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₅H₉FO₂
Molar mass: 120.12 g/mol
Exact mass: 120.0587 Da
logP: 0.91Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

406-20-2

SMILES

COC(=O)CCCF

InChIKey

ZVGDFKFLRMGSFF-UHFFFAOYSA-N

InChI

InChI=1S/C5H9FO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

Weigh it out

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

Names and synonyms

1 names

Butyric acid, 4-fluoro-, methyl ester

Work with 4-Fluorobutyric acid methyl 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

Dimethyl glutarate1119-40-073 % similar Dimethyl adipate627-93-070 % similar Dimethyl sebacate106-79-667 % similar Dimethyl octadecanedioate1472-93-167 % similar 1,12-Dimethyl dodecanedioate1731-79-967 % similar Dimethyl pimelate1732-08-767 % similar Dimethyl suberate1732-09-867 % similar Dimethyl azelate1732-10-167 % similar

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

Same formula

Ethyl 2-fluoropropionate127306-59-6 Methyl 2-fluoroisobutyrate338-76-1 Ethyl 2-fluoropropionate349-43-9

Elsewhere

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