chempirical

1-Bromo-3-(difluoromethyl)-5-fluorobenzene

C7H4BrF3CAS 627526-90-3225.01 g/mol

Open in Covalent MOL file
FBrFF
Alkyl halideAryl halide

Properties

Molecular formula
C7H4BrF3
Molar mass
225.01 g/mol
Exact mass
223.9448 Da
logP
3.53Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
627526-90-3
SMILES
C1=C(C=C(C=C1F)Br)C(F)F
InChIKey
OPTDWHOFDCKSSE-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrF3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,7H

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Names and synonyms

1 names
  • 1-Bromo-3-difluoromethyl-5-fluorobenzene

Work with 1-Bromo-3-(difluoromethyl)-5-fluorobenzene

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

1,3-Dibromo-5-fluorobenzene1435-51-458 % similar 1-Bromo-3,5-difluorobenzene461-96-158 % similar 3-Bromo-5-fluoroaniline134168-97-147 % similar 1-Bromo-3-fluoro-5-methylbenzene202865-83-647 % similar 1-Bromo-3-chloro-5-fluorobenzene33863-76-247 % similar 3-Bromo-5-fluorophenol433939-27-647 % similar 3-Fluoro-5-iodo bromobenzene845866-85-547 % similar 1-Bromo-4-difluoromethylbenzene51776-71-746 % similar

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

Same formula

2,4,6-Trifluorobenzyl bromide151411-98-2 2,3,6-Trifluorobenzyl bromide151412-02-1 1-(Bromomethyl)-2,3,4-trifluorobenzene157911-55-2 2,4,5-Trifluorobenzyl bromide157911-56-3 3,4,5-Trifluorobenzyl bromide220141-72-0 2,3,5-Trifluorobenzyl bromide226717-83-5 1-Bromo-2-(trifluoromethyl)benzene392-83-6 1-Bromo-3-(trifluoromethyl)benzene401-78-5

Elsewhere

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