4-Fluoro-1H-indole-2,3-dione

C₈H₄FNO₂CAS 346-34-9165.12 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

Danger

H301 Toxic if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

346-34-9

SMILES

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

InChIKey

VUPIFURSDLGPMH-UHFFFAOYSA-N

InChI

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

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

Names and synonyms

1 names

4-Fluoroindoline-2,3-dione

Work with 4-Fluoro-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

4-Bromoisatin20780-72-762 % similar 4-Chloroisatin6344-05-462 % similar Isatin91-56-552 % similar 4-Bromo-5-methyl-2,3-indolinedione147149-84-644 % similar 1-(2,6-Difluorophenyl)ethanone13670-99-043 % similar 2,6-Difluorobenzoyl chloride18063-02-043 % similar 2,6-Difluorobenzoic acid385-00-243 % similar 4,6-Dichloro-1H-indole-2,3-dione18711-15-443 % 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 5-Fluoroisatin443-69-6 2-Cyano-6-fluorobenzoic acid887266-96-8

Elsewhere

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