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

C₈H₅BrF₄CAS 184970-25-0257.03 g/mol

Open in Covalent MOL file

Alkyl halide Aryl 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 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

184970-25-0

SMILES

Fc1c(CBr)cccc1C(F)(F)F

InChIKey

QBEHXDXQUVMEQX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF4/c9-4-5-2-1-3-6(7(5)10)8(11,12)13/h1-3H,4H2

Weigh it out

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

Names and synonyms

3 names

Benzene, 1-(bromomethyl)-2-fluoro-3-(trifluoromethyl)-
1-Bromomethyl-2-fluoro-3-trifluoromethylbenzene
2-Fluoro-3-trifluoromethylbenzyl bromide

Work with 1-(Bromomethyl)-2-fluoro-3-(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-Trifluoromethylbenzyl bromide395-44-867 % similar 1-(Bromomethyl)-2-methyl-3-(trifluoromethyl)benzene261952-16-362 % similar 2-Fluoro-3-(trifluoromethyl)benzeneacetonitrile239087-10-658 % similar 2,3-Difluorobenzyl bromide113211-94-258 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-856 % similar 1-Bromo-3-(bromomethyl)-2-fluorobenzene149947-16-056 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-150 % similar

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

Same formula

4-(Bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene184970-26-1 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

Elsewhere

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