chempirical

Methyl difluoroacetate

C3H4F2O2CAS 433-53-4110.06 g/mol

Open in Covalent MOL file
OOFF
Alkyl halideEster

Properties

Molecular formula
C3H4F2O2
Molar mass
110.06 g/mol
Exact mass
110.0179 Da
Boiling point
85–86 °C
logP
0.42Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
433-53-4
SMILES
COC(=O)C(F)F
InChIKey
CSSYKHYGURSRAZ-UHFFFAOYSA-N
InChI
InChI=1S/C3H4F2O2/c1-7-3(6)2(4)5/h2H,1H3

Weigh it out

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

Names and synonyms

5 names
  • Acetic acid, 2,2-difluoro-, methyl ester
  • Acetic acid, difluoro-, methyl ester
  • Difluoroacetic acid methyl ester
  • Methyl 2,2-difluoroacetate
  • α,α-Difluoroacetic acid methyl ester

Work with Methyl difluoroacetate

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

Methyl isobutyrate547-63-752 % similar Dimethyl methylmalonate609-02-952 % similar Methyl 2,3,3,3-tetrafluoropropanoate382-93-452 % similar Methyl dichloroacetate116-54-150 % similar Dimethyl (2S,3S)-2,3-dihydroxybutanedioate13171-64-750 % similar Methyl cyclopropanecarboxylate2868-37-350 % similar Dimethyl chloromalonate28868-76-050 % similar 1,4-Dimethyl trans-1,4-cyclohexanedicarboxylate3399-22-250 % similar

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

Same formula

2,2-Difluoropropanoic acid373-96-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook