chempirical

Ethyl bromofluoroacetate

C4H6BrFO2CAS 401-55-8184.99 g/mol

Open in Covalent MOL file
OOFBr
Alkyl halideEster

Properties

Molecular formula
C4H6BrFO2
Molar mass
184.99 g/mol
Exact mass
183.9535 Da
Density
1.57 g/mL
Boiling point
68 °C (at 34 Torr)
logP
1.24Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
401-55-8
SMILES
CCOC(=O)C(F)Br
InChIKey
ULNDTPIRBQGESN-UHFFFAOYSA-N
InChI
InChI=1S/C4H6BrFO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

Weigh it out

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

Names and synonyms

5 names
  • Acetic acid, 2-bromo-2-fluoro-, ethyl ester
  • Acetic acid, bromofluoro-, ethyl ester
  • Bromofluoroacetic acid ethyl ester
  • Ethyl 2-bromo-2-fluoroacetate
  • 2-Bromo-2-fluoroacetic acid ethyl ester

Work with Ethyl bromofluoroacetate

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

Ethyl difluoroacetate454-31-961 % similar Diethyl fluoromalonate685-88-161 % similar Ethyl 2-fluoropropionate127306-59-657 % similar Ethyl 2-bromopropionate535-11-557 % similar 1,6-Diethyl 2,5-dibromohexanedioate869-10-357 % similar 1,1,1-Triethyl methanetricarboxylate6279-86-356 % similar (-)-Diethyl tartrate13811-71-755 % similar Diethyl tartrate87-91-255 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook