2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine

C₇H₄BrF₄NCAS 875664-27-0258.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Primary amine

Properties

Molecular formula: C₇H₄BrF₄N
Molar mass: 258.01 g/mol
Exact mass: 256.9463 Da
logP: 3.19Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

875664-27-0

SMILES

Nc1c(Br)cc(F)cc1C(F)(F)F

InChIKey

OTYCOVZULSPPPW-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrF4N/c8-5-2-3(9)1-4(6(5)13)7(10,11)12/h1-2H,13H2

Weigh it out

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

Names and synonyms

2 names

Benzenamine, 2-bromo-4-fluoro-6-(trifluoromethyl)-
2-Bromo-4-fluoro-6-(trifluoromethyl)aniline

Work with 2-Bromo-4-fluoro-6-(trifluoromethyl)benzenamine

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

2,6-Dibromo-4-fluoroaniline344-18-364 % similar 2-Bromo-4,6-difluorobenzenamine444-14-456 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-955 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-555 % similar 2-Bromo-6-chloro-4-fluorobenzenamine201849-14-153 % similar 2-Bromo-4-fluoro-6-methylbenzenamine202865-77-853 % similar 2-Bromo-4,6-difluoroaniline hydrobromide101471-20-951 % similar 3-Bromo-4,5-diaminobenzotrifluoride113170-72-247 % similar

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

Same formula

4-Bromo-2-fluoro-5-(trifluoromethyl)benzenamine104460-70-0 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook