4-Bromo-6-(trifluoromethyl)-1H-indole

C₉H₅BrF₃NCAS 1000342-93-7264.05 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₉H₅BrF₃N
Molar mass: 264.05 g/mol
Exact mass: 262.9557 Da
logP: 3.95Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

1000342-93-7

SMILES

C1=CNC2=C1C(=CC(=C2)C(F)(F)F)Br

InChIKey

GVQHXKQOACYLJU-UHFFFAOYSA-N

InChI

InChI=1S/C9H5BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h1-4,14H

Weigh it out

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

Names and synonyms

1 names

1H-Indole, 4-bromo-6-(trifluoromethyl)-

Work with 4-Bromo-6-(trifluoromethyl)-1H-indole

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

4-Hydroxy-7-(trifluoromethyl)quinoline322-97-451 % similar 7-(Trifluoromethyl)-4-quinolinethiol64415-07-251 % similar 4-Bromo-1H-indole-6-carbonitrile374633-29-149 % similar 4-Bromoindole52488-36-547 % similar 5-(Trifluoromethyl)-1H-indole100846-24-046 % similar 2-Bromo-1-methyl-4-(trifluoromethyl)benzene66417-30-946 % similar 6-(Trifluoromethyl)-4-quinolinol49713-51-144 % similar 4-(Trifluoromethyl)-1H-indole128562-95-842 % similar

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

Elsewhere

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