5-Fluoroisatin

C₈H₄FNO₂CAS 443-69-6165.12 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₈H₄FNO₂
Molar mass: 165.12 g/mol
Exact mass: 165.0226 Da
logP: 0.96Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 47 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

443-69-6

SMILES

C1=CC2=C(C=C1F)C(=O)C(=O)N2

InChIKey

GKODDAXOSGGARJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H4FNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Fluoroisatin

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-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione345-32-461 % similar 5-Chloroisatin17630-76-160 % similar 5-Iodoisatin20780-76-160 % similar 5-Methylisatin608-05-960 % similar 5-Bromoisatin87-48-960 % similar Isatin91-56-556 % similar 5-Methoxyisatin39755-95-855 % similar 5-(Trifluoromethoxy)isatin169037-23-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Cyano-2-fluorobenzoic acid164149-28-4 3-Cyano-4-fluorobenzoic acid171050-06-9 4-Cyano-3-fluorobenzoic acid176508-81-9 7-Fluoroisatin317-20-4 4-Fluoro-1H-indole-2,3-dione346-34-9 2-Cyano-6-fluorobenzoic acid887266-96-8

Elsewhere

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