5-(Trifluoromethyl)-1H-indole

C₉H₆F₃NCAS 100846-24-0185.15 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆F₃N
Molar mass: 185.15 g/mol
Exact mass: 185.0452 Da
logP: 3.19Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 0

Identifiers

CAS number

100846-24-0

SMILES

C1=CC2=C(C=CN2)C=C1C(F)(F)F

InChIKey

LCFDJWUYKUPBJM-UHFFFAOYSA-N

InChI

InChI=1S/C9H6F3N/c10-9(11,12)7-1-2-8-6(5-7)3-4-13-8/h1-5,13H

Weigh it out

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

Names and synonyms

1 names

5-(Trifluoromethyl)indole

Work with 5-(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

Same formula

4-(Trifluoromethyl)benzeneacetonitrile2338-75-2 [3-(Trifluoromethyl)phenyl]acetonitrile2338-76-3 2-(Trifluoromethyl)benzeneacetonitrile3038-47-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook