6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione

C9H4F3NO2CAS 343-69-1215.13 g/mol

Open in Covalent MOL file
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Alkyl halideAmideKetoneLactam

Properties

Molecular formula
C9H4F3NO2
Molar mass
215.13 g/mol
Exact mass
215.0194 Da
logP
1.84Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
343-69-1
SMILES
C1=CC2=C(C=C1C(F)(F)F)NC(=O)C2=O
InChIKey
CYVMRSKFRIKMQL-UHFFFAOYSA-N
InChI
InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15)

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Names and synonyms

1 names
  • 6-Trifluoromethyl isatin

Work with 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione

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-Bromoisatin6326-79-057 % similar 6-Chloroisatin6341-92-057 % similar Isatin91-56-553 % similar 5-Fluoroisatin443-69-653 % similar 6-Methoxy-2,3-dioxyindole52351-75-453 % similar 5-(Trifluoromethoxy)isatin169037-23-452 % similar 6-Trifluoromethyloxindole1735-89-349 % similar 5-Chloroisatin17630-76-149 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-4 7-Trifluoromethylisatin391-12-8

Elsewhere

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