3-(Trifluoroacetyl)indole

C₁₀H₆F₃NOCAS 14618-45-2213.16 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₆F₃NO
Molar mass: 213.16 g/mol
Exact mass: 213.0401 Da
logP: 2.91Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

14618-45-2

SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)C(F)(F)F

InChIKey

LCMDCXWSHDFQKP-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F3NO/c11-10(12,13)9(15)7-5-14-8-4-2-1-3-6(7)8/h1-5,14H

Weigh it out

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

Work with 3-(Trifluoroacetyl)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

3-Acetylindole703-80-054 % similar Indole-3-glyoxylic acid1477-49-250 % similar α-Oxo-1H-indole-3-acetyl chloride22980-09-250 % similar 3-Naphthoylindole109555-87-549 % similar Bisindolylmaleimide V113963-68-148 % similar Ethyl indole-3-carboxylate776-41-047 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-746 % similar 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-245 % similar

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

Same formula

8-(Trifluoromethyl)-4-quinolinol23779-96-6 4-(Trifluoromethyl)-2(1H)-quinolinone25199-84-2 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-4 6-(Trifluoromethyl)-4-quinolinol49713-51-1

Elsewhere

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