chempirical

1-Bromo-3-fluoro-2-(trifluoromethyl)benzene

C7H3BrF4CAS 261951-85-3243.00 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
logP
3.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
261951-85-3
SMILES
Fc1cccc(Br)c1C(F)(F)F
InChIKey
LOXSSZUHCPBDMD-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-4-2-1-3-5(9)6(4)7(10,11)12/h1-3H

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

Names and synonyms

3 names
  • Benzene, 1-bromo-3-fluoro-2-(trifluoromethyl)-
  • 3-Fluoro-2-(trifluoromethyl)bromobenzene
  • 2-Bromo-6-fluorobenzotrifluoride

Work with 1-Bromo-3-fluoro-2-(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

2-Amino-6-fluorobenzotrifluoride123973-22-857 % similar 1-Bromo-2,3-difluorobenzene38573-88-556 % similar 1-Bromo-2-fluorobenzene1072-85-150 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-447 % similar 2-Bromo-6-fluorophenol2040-89-347 % similar 2-Bromo-6-fluorobenzenamine65896-11-947 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-545 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % 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 4-Bromo-2-fluorobenzotrifluoride142808-15-9 3-Bromo-2-fluorobenzotrifluoride144584-67-8 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-9 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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