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

C₈H₅BrF₄CAS 220239-69-0257.03 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

220239-69-0

SMILES

Fc1ccc(C(F)(F)F)cc1CBr

InChIKey

BYRMZRWUEAESEZ-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

3 names

Benzene, 2-(bromomethyl)-1-fluoro-4-(trifluoromethyl)-
2-Fluoro-5-trifluoromethylbenzyl bromide
2-Bromomethyl-1-fluoro-4-trifluoromethylbenzene

Work with 2-(Bromomethyl)-1-fluoro-4-(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-(Bromomethyl)-1,4-bis(trifluoromethyl)benzene302911-98-466 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-262 % similar 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-362 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2,5-Difluorobenzyl bromide85117-99-356 % similar 4-(Trifluoromethyl)benzyl bromide402-49-350 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-650 % similar 3-(Trifluoromethyl)benzyl bromide402-23-349 % 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 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-1 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-2

Elsewhere

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