7-Trifluoromethylisatin

C₉H₄F₃NO₂CAS 391-12-8215.13 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 swallowed33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers
H412 Harmful to aquatic life with long lasting effects33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, 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

391-12-8

SMILES

C1=CC2=C(C(=C1)C(F)(F)F)NC(=O)C2=O

InChIKey

MXLDJTXXAYVWDF-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

7-(Trifluoromethyl)indoline-2,3-dione

Work with 7-Trifluoromethylisatin

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-Fluoroisatin317-20-459 % similar 7-Chloroisatin7477-63-658 % similar 7-Bromoisatin20780-74-957 % similar 7-Methylisatin1127-59-955 % similar 2,3-Dioxoindoline-7-carboxylic acid25128-35-254 % similar Isatin91-56-547 % similar 2-(Trifluoromethyl)benzoic acid hydrazide344-95-644 % similar 2'-(Trifluoromethyl)acetophenone17408-14-944 % 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 5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-4

Elsewhere

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