chempirical

Dimethyl difluoromalonate

C5H6F2O4CAS 379-95-3168.10 g/mol

Open in Covalent MOL file
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Alkyl halideEster

Properties

Molecular formula
C5H6F2O4
Molar mass
168.10 g/mol
Exact mass
168.0234 Da
Density
1.3059 g/mL (at 20 °C)
Melting point
−35 °C
Boiling point
58–59 °C (at 9 Torr)
logP
-0.03Crippen estimate
Polar surface area
52.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
379-95-3
SMILES
COC(=O)C(F)(F)C(=O)OC
InChIKey
NHTZDSRSPCFQCJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H6F2O4/c1-10-3(8)5(6,7)4(9)11-2/h1-2H3

Weigh it out

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

Names and synonyms

5 names
  • Propanedioic acid, 2,2-difluoro-, 1,3-dimethyl ester
  • Malonic acid, difluoro-, dimethyl ester
  • Propanedioic acid, difluoro-, dimethyl ester
  • Dimethyl 2,2-difluoromalonate
  • 1,3-Dimethyl 2,2-difluoropropanedioate

Work with Dimethyl difluoromalonate

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 trifluoroacetate431-47-064 % similar Methyl 2-fluoroisobutyrate338-76-158 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-056 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-656 % similar Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-756 % similar Methyl pivalate598-98-152 % similar 1,1′-Dimethyl 2,2′-[(1,1,2,2-tetrafluoro-1,2-ethanediyl)bis(oxy)]bis[2,2-difluoroacetate]24647-20-952 % similar Methyl 2,2,3,3,4,4,4-heptafluorobutanoate356-24-150 % similar

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

Elsewhere

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