chempirical

Dimethyl fluoromalonate

C5H7FO4CAS 344-14-9150.11 g/mol

Open in Covalent MOL file
OOOOF
Alkyl halideEster

Properties

Molecular formula
C5H7FO4
Molar mass
150.11 g/mol
Exact mass
150.0328 Da
logP
-0.33Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

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
344-14-9
SMILES
COC(=O)C(C(=O)OC)F
InChIKey
ZVXHZSXYHFBIEW-UHFFFAOYSA-N
InChI
InChI=1S/C5H7FO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3

Weigh it out

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

Work with Dimethyl fluoromalonate

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

Methyl difluoroacetate433-53-464 % similar Methyl 2-fluoro-3-oxopentanoate180287-02-963 % similar Methyl isobutyrate547-63-752 % similar Dimethyl methylmalonate609-02-952 % similar Methyl 2-formyl-3-oxopropanoate50427-65-152 % similar Methyl 2,3,3,3-tetrafluoropropanoate382-93-452 % similar Methyl dichloroacetate116-54-150 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-750 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook