chempirical

Methyl 2-chloro-2,2-difluoroacetate

C3H3ClF2O2CAS 1514-87-0144.50 g/mol

Open in Covalent MOL file
OOFFCl
Alkyl halideEster

Properties

Molecular formula
C3H3ClF2O2
Molar mass
144.50 g/mol
Exact mass
143.9790 Da
Density
1.3701 g/mL (at 18 °C)
Boiling point
79–81 °C
logP
0.99Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
1514-87-0
SMILES
COC(=O)C(F)(F)Cl
InChIKey
AWUPLMYXZJKHEG-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClF2O2/c1-8-2(7)3(4,5)6/h1H3

Weigh it out

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

Names and synonyms

4 names
  • Acetic acid, 2-chloro-2,2-difluoro-, methyl ester
  • Acetic acid, chlorodifluoro-, methyl ester
  • Methyl chlorodifluoroacetate
  • Chlorodifluoroacetic acid methyl ester

Work with Methyl 2-chloro-2,2-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

Chlorodifluoroacetic anhydride2834-23-363 % similar Dimethyl difluoromalonate379-95-356 % similar Methyl trifluoroacetate431-47-056 % similar Methyl trichloroacetate598-99-256 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-055 % similar Methyl 2-fluoroisobutyrate338-76-152 % similar Methyl 2,2,3,3,3-pentafluoropropanoate378-75-650 % similar Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate680-05-750 % similar

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

Elsewhere

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