3-Bromo-5-(trifluoromethyl)aniline

C₇H₅BrF₃NCAS 54962-75-3240.02 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₅BrF₃N
Molar mass: 240.02 g/mol
Exact mass: 238.9557 Da
logP: 3.05Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

54962-75-3

SMILES

Nc1cc(Br)cc(C(F)(F)F)c1

InChIKey

HJTLKVYOWNTDPF-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrF3N/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3H,12H2

Weigh it out

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

Names and synonyms

5 names

Benzenamine, 3-bromo-5-(trifluoromethyl)-
3-Bromo-5-(trifluoromethyl)benzenamine
3-Bromo-5-(trifluoromethyl)phenylamine
3-Amino-5-bromobenzotrifluoride
3-Amino-5-bromo-1-trifluoromethylbenzene

Work with 3-Bromo-5-(trifluoromethyl)aniline

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-Bromo-3,5-bis(trifluoromethyl)benzene328-70-168 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-568 % similar 3,5-Diaminobenzotrifluoride368-53-668 % similar 1,3-Dibromo-5-(trifluoromethyl)benzene401-84-368 % similar 3-Bromo-5-fluorobenzotrifluoride130723-13-657 % similar 3-Fluoro-5-trifluoromethylaniline454-67-157 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-855 % similar 3-Methoxy-5-(trifluoromethyl)aniline349-55-350 % similar

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

Same formula

4-Bromo-3-(trifluoromethyl)aniline393-36-2 4-Bromo-2-(trifluoromethyl)aniline445-02-3 2-Bromo-5-trifluoromethylaniline454-79-5 2-Bromo-4-trifluoromethylaniline57946-63-1 2-Bromo-3-(trifluoromethyl)benzenamine58458-10-9

Elsewhere

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