chempirical

1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one

C9H6F3NOCAS 56341-40-3201.15 g/mol

Open in Covalent MOL file
OHNFFF
Alkyl halide

Properties

Molecular formula
C9H6F3NO
Molar mass
201.15 g/mol
Exact mass
201.0401 Da
logP
2.85Crippen estimate
Polar surface area
32.6 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
56341-40-3
SMILES
OC1=Nc2c(cccc2C(F)(F)F)C1
InChIKey
ODADMQRQVQRBAC-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)6-3-1-2-5-4-7(14)13-8(5)6/h1-3H,4H2,(H,13,14)

Weigh it out

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

Names and synonyms

4 names
  • 2H-Indol-2-one, 1,3-dihydro-7-(trifluoromethyl)-
  • 2-Oxo-7-(trifluoromethyl)indoline
  • 7-(Trifluoromethyl)oxindole
  • 7-(Trifluoromethyl)indolin-2-one

Work with 1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one

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

7-Fluoro-1,3-dihydro-2H-indol-2-one71294-03-657 % similar [2-(Trifluoromethyl)phenyl]acetic acid3038-48-049 % similar 2-(Trifluoromethyl)benzenemethanol346-06-544 % similar Oxindole59-48-343 % similar 2-(Trifluoromethyl)benzenepropanoic acid94022-99-843 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-542 % similar 2-(Trifluoromethyl)benzeneethanol94022-96-542 % similar 2-(Trifluoromethyl)benzenemethanamine3048-01-941 % similar

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

Same formula

2-(3-(Trifluoromethoxy)phenyl)acetonitrile108307-56-8 2-Triflnoromethoxybenzyl cyanide137218-25-8 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-5

Elsewhere

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