chempirical

2-Bromo-2'-fluoroacetophenone

C8H6BrFOCAS 655-15-2217.04 g/mol

Open in Covalent MOL file
OBrF
Alkyl halideAryl halideKetone

Properties

Molecular formula
C8H6BrFO
Molar mass
217.04 g/mol
Exact mass
215.9586 Da
logP
2.40Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Danger
Corrosive (GHS05)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
655-15-2
SMILES
O=C(CBr)c1ccccc1F
InChIKey
QDNWNJSLWKHNTM-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrFO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2

Weigh it out

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

Names and synonyms

10 names
  • 2-Bromo-1-(2-fluorophenyl)ethanone
  • Ethanone, 2-bromo-1-(2-fluorophenyl)-
  • Acetophenone, 2-bromo-2′-fluoro-
  • 2-Bromo-2′-fluoroacetophenone
  • o-Fluorophenacyl bromide
  • ω-Bromo-2-fluoroacetophenone
  • α-Bromo-2-fluoroacetophenone
  • 1-Bromo-2′-fluoroacetophenone
  • 2-Fluorophenacyl bromide
  • 2-Bromo-1-(2-fluorophenyl)ethan-1-one

Work with 2-Bromo-2'-fluoroacetophenone

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

2,6-Difluorophenacyl bromide56159-89-865 % similar 2-Bromo-2',4'-difluoroacetophenone102429-07-262 % similar 3-(2-Fluorophenyl)-3-oxopropionitrile31915-26-159 % similar 2-(Trifluoromethyl)phenacyl bromide54109-16-959 % similar 2-Bromo-2'-hydroxyacetophenone2491-36-358 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-858 % similar 2-(2-(2-Fluorophenyl)-2-oxoethyl)propanedinitrile312307-38-354 % similar 2-Bromo-1-(2-methoxyphenyl)ethanone31949-21-053 % similar

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

Same formula

1-(2-Bromo-5-fluorophenyl)ethanone1006-33-3 1-(2-Bromo-4-fluorophenyl)ethanone1006-39-9 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-4 2-Bromo-6-fluoro-3-methylbenzaldehyde154650-16-5 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-5 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-3 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-6 2-Bromo-1-(4-fluorophenyl)ethan-1-one403-29-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook