chempirical

2-Fluorophenethyl bromide

C8H8BrFCAS 91319-54-9203.05 g/mol

Open in Covalent MOL file
BrF
Alkyl halideAryl halide

Properties

Molecular formula
C8H8BrF
Molar mass
203.05 g/mol
Exact mass
201.9793 Da
logP
2.76Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
91319-54-9
SMILES
C1=CC=C(C(=C1)CCBr)F
InChIKey
FQGDFWIQBCQXPS-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrF/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2

Weigh it out

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

Work with 2-Fluorophenethyl bromide

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

2-Fluorobenzyl bromide446-48-062 % similar 2-Fluorophenethyl alcohol50919-06-757 % similar 2-(2-Fluorophenyl)ethylamine52721-69-457 % similar 1-(2-Bromoethyl)-2-chlorobenzene16793-91-252 % similar 1-(2-Bromoethyl)naphthalene13686-49-250 % similar 2-Fluorobenzyl chloride345-35-750 % similar 2-Fluorobenzylic alcohol446-51-550 % similar 2-Fluorobenzylamine89-99-650 % similar

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

Same formula

3-Fluoro-4-methylbenzyl bromide145075-44-1 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-6 2-Fluoro-3-methylbenzyl bromide151412-12-3 3-Fluorophenethyl bromide25017-13-4 2-(Bromomethyl)-4-fluoro-1-methylbenzene261951-71-7 1-(2-Bromoethyl)-4-fluorobenzene332-42-3 1-Bromo-4-fluoro-2,3-dimethylbenzene52548-00-2 5-Bromo-2-fluoro-M-xylene99725-44-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook