Methyl fluoroacetate

C₃H₅FO₂CAS 453-18-992.07 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₃H₅FO₂
Molar mass: 92.07 g/mol
Exact mass: 92.0274 Da
Density: 1.1744 g/mL (at 20 °C)
Melting point: −35 °C
Boiling point: 104.5 °C
logP: 0.13Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

453-18-9

SMILES

COC(=O)CF

InChIKey

RJBYSQHLLIHSLT-UHFFFAOYSA-N

InChI

InChI=1S/C3H5FO2/c1-6-3(5)2-4/h2H2,1H3

Weigh it out

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

Names and synonyms

3 names

Acetic acid, 2-fluoro-, methyl ester
Acetic acid, fluoro-, methyl ester
Methyl 2-fluoroacetate

Work with Methyl 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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dimethyl succinate106-65-057 % similar Dimethyl malonate108-59-857 % similar Dimethyl glutarate1119-40-055 % similar Methyl propionate554-12-152 % similar Dimethyl adipate627-93-052 % similar Ethyl fluoroacetate459-72-352 % similar Dimethyl sebacate106-79-650 % similar 1,1′-Dimethyl 2,2′-thiobis[acetate]16002-29-250 % similar

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

Same formula

3-Fluoropropanoic acid461-56-3

Elsewhere

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