5-(Trifluoromethoxy)isatin

C₉H₄F₃NO₃CAS 169037-23-4231.13 g/mol

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Alkyl halide Amide Ether Ketone Lactam

Properties

Molecular formula: C₉H₄F₃NO₃
Molar mass: 231.13 g/mol
Exact mass: 231.0143 Da
logP: 1.72Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

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

Identifiers

CAS number

169037-23-4

SMILES

C1=CC2=C(C=C1OC(F)(F)F)C(=O)C(=O)N2

InChIKey

XHAJMVPMNOBILF-UHFFFAOYSA-N

InChI

InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-6-5(3-4)7(14)8(15)13-6/h1-3H,(H,13,14,15)

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Names and synonyms

1 names

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

Work with 5-(Trifluoromethoxy)isatin

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-Methoxyisatin39755-95-863 % similar 5-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-460 % similar 5-Fluoroisatin443-69-655 % similar 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-152 % similar 5-Chloroisatin17630-76-151 % similar 5-Iodoisatin20780-76-151 % similar 5-Methylisatin608-05-951 % similar 5-Bromoisatin87-48-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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