chempirical

6-Trifluoromethyloxindole

C9H6F3NOCAS 1735-89-3201.15 g/mol

Open in Covalent MOL file
FFFNHO
Alkyl halideAmideLactam

Properties

Molecular formula
C9H6F3NO
Molar mass
201.15 g/mol
Exact mass
201.0401 Da
logP
2.20Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
1735-89-3
SMILES
C1C2=C(C=C(C=C2)C(F)(F)F)NC1=O
InChIKey
LZPKWQOLOCLSBO-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)

Weigh it out

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

Work with 6-Trifluoromethyloxindole

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

5-Fluoro-1,3-dihydroindol-2-one56341-41-448 % similar 5-Chlorooxindole17630-75-044 % similar 5-Bromo-2-oxindole20870-78-444 % similar 5-Hydroxyoxindole3416-18-044 % similar 2,5-Bis(trifluoromethyl)benzeneacetic acid302912-02-343 % similar 2-Cyano-N-[4-(trifluoromethyl)phenyl]acetamide24522-30-342 % similar 2-Nitro-4-(trifluoromethyl)benzeneacetic acid1735-91-740 % similar 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)indolin-2-one837392-64-039 % 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 3-(Trifluoromethyl)phenoxyacetonitrile2145-31-5 4-Methoxy-3-trifluoromethylbenzonitrile261951-87-5 1,3-Dihydro-7-(trifluoromethyl)-2H-indol-2-one56341-40-3

Elsewhere

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