chempirical

5-Bromo-2-fluorobenzotrifluoride

C7H3BrF4CAS 393-37-3243.00 g/mol

Open in Covalent MOL file
FBrFFF
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF4
Molar mass
243.00 g/mol
Exact mass
241.9354 Da
Density
1.72 g/mL (at 25 °C)
Melting point
203 °C
Boiling point
78–83 °C (at 50 Torr)
logP
3.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
393-37-3
SMILES
Fc1ccc(Br)cc1C(F)(F)F
InChIKey
AJLIJYGWAXPEOK-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-4-1-2-6(9)5(3-4)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

7 names
  • Benzene, 4-bromo-1-fluoro-2-(trifluoromethyl)-
  • Toluene, 5-bromo-α,α,α,2-tetrafluoro-
  • 4-Bromo-1-fluoro-2-(trifluoromethyl)benzene
  • 5-Bromo-2-fluoro-1-trifluoromethylbenzene
  • 1-Bromo-4-fluoro-3-trifluoromethylbenzene
  • 4-Fluoro-3-(trifluoromethyl)bromobenzene
  • 2-Fluoro-5-bromobenzotrifluoride

Work with 5-Bromo-2-fluorobenzotrifluoride

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

1,4-Difluoro-2-(trifluoromethyl)benzene393-38-464 % similar 1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-262 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-160 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-558 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-258 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-358 % similar 1-Bromo-3,4-difluorobenzene348-61-856 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-355 % 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 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-9 2-Bromo-5-fluorobenzotrifluoride40161-55-5 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-3

Elsewhere

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