chempirical

1-Bromo-4-fluorobutane

C4H8BrFCAS 462-72-6155.01 g/mol

Open in Covalent MOL file
FBr
Alkyl halide

Properties

Molecular formula
C4H8BrF
Molar mass
155.01 g/mol
Exact mass
153.9793 Da
Density
1.4298 g/mL (at 35 °C)
Boiling point
135 °C
logP
2.13Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3

Identifiers

CAS number
462-72-6
SMILES
FCCCCBr
InChIKey
WMCUHRDQSHQNRW-UHFFFAOYSA-N
InChI
InChI=1S/C4H8BrF/c5-3-1-2-4-6/h1-4H2

Weigh it out

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

Names and synonyms

2 names
  • Butane, 1-bromo-4-fluoro-
  • 4-Bromo-1-fluorobutane

Work with 1-Bromo-4-fluorobutane

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-Bromo-5-fluoropentane407-97-693 % similar 1-Bromo-3-fluoropropane352-91-080 % similar 1,4-Dibromobutane110-52-157 % similar 1-Bromo-2-fluoroethane762-49-256 % similar 1,5-Dibromopentane111-24-053 % similar 1,11-Dibromoundecane16696-65-453 % similar 1,12-Dibromododecane3344-70-553 % similar 1,7-Dibromoheptane4549-31-953 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook