chempirical

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

C8H5BrF4CAS 213203-65-7257.03 g/mol

Open in Covalent MOL file
BrFFFF
Alkyl halideAryl halide

Properties

Molecular formula
C8H5BrF4
Molar mass
257.03 g/mol
Exact mass
255.9511 Da
logP
3.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
213203-65-7
SMILES
C1=CC(=C(C=C1CBr)F)C(F)(F)F
InChIKey
MOVSRIIBGRAUAF-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2

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Names and synonyms

1 names
  • 3-Fluoro-4-(trifluoromethyl)benzyl bromide

Work with 4-(Bromomethyl)-2-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

3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-964 % similar 3,4-Difluorobenzyl bromide85118-01-060 % similar 4-Chloro-3-(trifluoromethyl)benzyl bromide261763-23-957 % similar 3-Fluoro-4-(trifluoromethyl)phenylacetic acid238754-67-155 % similar 1-Bromo-4-(bromomethyl)-2-fluorobenzene127425-73-455 % similar 4-Bromo-2-fluorobenzotrifluoride142808-15-955 % similar 3-Fluoro-4-methylbenzyl bromide145075-44-153 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-353 % similar

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

Same formula

1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-0 4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-1 4-Fluoro-2-(trifluoromethyl)benzyl bromide206860-48-2 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-0 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-1 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-2 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-3 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-9

Elsewhere

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