6-Trifluoromethyloxindole

C₉H₆F₃NOCAS 1735-89-3201.15 g/mol

Open in Covalent MOL file

Alkyl halide Amide Lactam

Properties

Molecular formula: C₉H₆F₃NO
Molar mass: 201.15 g/mol
Exact mass: 201.0401 Da
logP: 2.20Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed75% of notifiers
H315 Causes skin irritation75% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers
H411 Toxic to aquatic life with long lasting effects25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

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

6-Fluoro-2,3-dihydro-1H-indol-2-one56341-39-059 % similar 2,3-Dihydro-6-(trifluoromethyl)benzo[1,4]-thiazin-3-one716-82-559 % similar 6-Bromo-1,3-dihydro-2H-indol-2-one99365-40-955 % similar 6-Methoxyoxindole7699-19-651 % similar 5,6-Difluorooxindole71294-07-050 % similar 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-149 % similar 6-(Trifluoromethyl)indoline181513-29-149 % similar 7-(Trifluoromethyl)-1,2,3,4-tetrahydroquinoline450-62-448 % 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 2-Methoxy-5-(trifluoromethyl)benzonitrile34636-92-5 4-(Trifluoromethoxy)phenylacetonitrile49561-96-8 7-Trifluoromethyloxindole56341-40-3 5-(Trifluoromethyl)oxindole71293-62-4

Elsewhere

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