chempirical

Ethyl 2-chloro-2,2-difluoroacetate

C4H5ClF2O2CAS 383-62-0158.53 g/mol

Open in Covalent MOL file
OOFFCl
Alkyl halideEster

Properties

Molecular formula
C4H5ClF2O2
Molar mass
158.53 g/mol
Exact mass
157.9946 Da
Density
1.2471 g/mL (at 30 °C)
Boiling point
95.5 °C
logP
1.38Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
383-62-0
SMILES
CCOC(=O)C(F)(F)Cl
InChIKey
GVCAWQUJCHZRCB-UHFFFAOYSA-N
InChI
InChI=1S/C4H5ClF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

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

Names and synonyms

7 names
  • Acetic acid, 2-chloro-2,2-difluoro-, ethyl ester
  • Acetic acid, chlorodifluoro-, ethyl ester
  • Ethyl chlorodifluoroacetate
  • Chlorodifluoroacetic acid ethyl ester
  • NSC 62664
  • Difluorochloroacetic acid ethyl ester
  • Ethyl difluorochloroacetate

Work with Ethyl 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

1,4-Diethyl 2,2,3,3-tetrafluorobutanedioate377-71-961 % similar Ethyl trifluoroacetate383-63-161 % similar Ethyl trichloroacetate515-84-461 % similar Chlorodifluoroacetic anhydride2834-23-356 % similar Methyl 2-chloro-2,2-difluoroacetate1514-87-055 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-855 % similar Ethyl 2,2,3,3,3-pentafluoropropanoate426-65-355 % similar Ethyl bromodifluoroacetate667-27-655 % similar

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

Elsewhere

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