chempirical

Ethyl bromodifluoroacetate

C4H5BrF2O2CAS 667-27-6202.98 g/mol

Open in Covalent MOL file
OOFFBr
Alkyl halideEster

Properties

Molecular formula
C4H5BrF2O2
Molar mass
202.98 g/mol
Exact mass
201.9441 Da
Density
1.583 g/mL (at 25 °C)
Boiling point
113 °C
logP
1.54Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
667-27-6
SMILES
CCOC(=O)C(F)(F)Br
InChIKey
IRSJDVYTJUCXRV-UHFFFAOYSA-N
InChI
InChI=1S/C4H5BrF2O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3

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Names and synonyms

6 names
  • Acetic acid, 2-bromo-2,2-difluoro-, ethyl ester
  • Acetic acid, bromodifluoro-, ethyl ester
  • Ethyl 2-bromo-2,2-difluoroacetate
  • Ethyl difluorobromoacetate
  • Bromodifluoroacetic acid ethyl ester
  • 2-Bromo-2,2-difluoroacetic acid ethyl ester

Work with Ethyl bromodifluoroacetate

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 1,3-Diethyl 2,2-dibromopropanedioate631-22-161 % similar Ethyl 2-bromo-2,3,3,3-tetrafluoropropionate10186-73-959 % similar 1,3-Diethyl 2-bromo-2-methylpropanedioate29263-94-357 % similar Ethyl 2-bromoisobutyrate600-00-057 % similar Ethyl 2-chloro-2,2-difluoroacetate383-62-055 % similar 1,5-Diethyl 2,2,3,3,4,4-hexafluoropentanedioate424-40-855 % similar

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

Elsewhere

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