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

C₉H₄F₃NO₂CAS 345-32-4215.13 g/mol

Open in Covalent MOL file

Alkyl halide Amide Ketone Lactam

Properties

Molecular formula: C₉H₄F₃NO₂
Molar mass: 215.13 g/mol
Exact mass: 215.0194 Da
logP: 1.84Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

345-32-4

SMILES

C1=CC2=C(C=C1C(F)(F)F)C(=O)C(=O)N2

InChIKey

WODYULWWVAMDCP-UHFFFAOYSA-N

InChI

InChI=1S/C9H4F3NO2/c10-9(11,12)4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)

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Names and synonyms

1 names

5-(Trifluoromethyl)isatin

Work with 5-(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

5-Fluoroisatin443-69-661 % similar 5-(Trifluoromethoxy)isatin169037-23-460 % similar 5-Chloroisatin17630-76-157 % similar 5-Iodoisatin20780-76-157 % similar 5-Methylisatin608-05-957 % similar 5-Bromoisatin87-48-957 % similar Isatin91-56-553 % similar 5-Methoxyisatin39755-95-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-1 7-Trifluoromethylisatin391-12-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook