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

C₈H₅BrF₄CAS 239087-07-1257.03 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

239087-07-1

SMILES

Fc1cc(C(F)(F)F)ccc1CBr

InChIKey

MQUCRCQNRDHRPL-UHFFFAOYSA-N

InChI

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

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Names and synonyms

2 names

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

Work with 1-(Bromomethyl)-2-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)benzene302911-98-461 % similar 2-Fluoro-4-(trifluoromethyl)benzeneacetonitrile239087-11-758 % similar 2-(Bromomethyl)-1-chloro-4-(trifluoromethyl)benzene237761-77-257 % similar 2-(Bromomethyl)-1-iodo-4-(trifluoromethyl)benzene702641-06-357 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2,4-Difluorobenzyl bromide23915-07-356 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-555 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-053 % 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 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-0 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-2

Elsewhere

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