3-(Trifluoroacetyl)indole

C10H6F3NOCAS 14618-45-2213.16 g/mol

Open in Covalent MOL file
NHOFFF
Alkyl halideKetone

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-carboxylic acid771-50-654 % similar Indole-3-glyoxylic acid1477-49-250 % similar α-Oxo-1H-indole-3-acetyl chloride22980-09-250 % similar 1H-Indol-3-yl(2,2,3,3-tetramethylcyclopropyl)methanone895152-66-650 % similar Methyl indole-3-carboxylate942-24-550 % similar 3-Naphthoylindole109555-87-549 % similar Bisindolylmaleimide V113963-68-148 % 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 3-(Trifluoromethyl)benzoylacetonitrile27328-86-5 4-Hydroxy-7-(trifluoromethyl)quinoline322-97-4 6-(Trifluoromethyl)-4-quinolinol49713-51-1

Elsewhere

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