chempirical

2-Bromo-4-fluoro-1-(trifluoromethyl)benzene

C7H3BrF4CAS 351003-21-9243.00 g/mol

Open in Covalent MOL file
FFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF4
Molar mass
243.00 g/mol
Exact mass
241.9354 Da
logP
3.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
351003-21-9
SMILES
Fc1ccc(C(F)(F)F)c(Br)c1
InChIKey
XBBGYSIEJHXPLL-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 2-bromo-4-fluoro-1-(trifluoromethyl)-
  • 1-Bromo-2-trifluoromethyl-5-fluorobenzene
  • 2-Bromo-4-fluoro-1-trifluoromethylbenzene
  • 4-Fluoro-2-bromobenzotrifluoride
  • 2-Bromo-4-fluorobenzotrifluoride

Work with 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene

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

1,2-Dibromo-4-fluorobenzene2369-37-156 % similar 2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine875664-27-055 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-654 % similar 2-Bromo-4-fluoro-1-iodobenzene202865-73-453 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-453 % similar 1-Bromo-2,5-difluorobenzene399-94-052 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-750 % similar 5-Fluoro-2-(trifluoromethyl)benzenemethanamine231291-14-850 % similar

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

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 3-Bromo-5-fluorobenzotrifluoride130723-13-6 3-Bromo-2-fluorobenzotrifluoride144584-67-8 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-3 5-Bromo-2-fluorobenzotrifluoride393-37-3 2-Bromo-5-fluorobenzotrifluoride40161-55-5 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-3

Elsewhere

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