4,6-Difluorooxindole

C₈H₅F₂NOCAS 247564-57-4169.13 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₈H₅F₂NO
Molar mass: 169.13 g/mol
Exact mass: 169.0339 Da
logP: 1.46Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

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

247564-57-4

SMILES

C1C2=C(C=C(C=C2F)F)NC1=O

InChIKey

RVFYSTJIJULFHI-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F2NO/c9-4-1-6(10)5-3-8(12)11-7(5)2-4/h1-2H,3H2,(H,11,12)

Weigh it out

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

Work with 4,6-Difluorooxindole

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

6-Fluoro-2,3-dihydro-1H-indol-2-one56341-39-054 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-450 % similar 2,4,6-Trifluorobenzeneacetic acid209991-63-949 % similar 6,8-Difluoro-2-tetralone843644-23-544 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-344 % similar 4,6-Difluoro-2,3-dihydro-1H-inden-1-one162548-73-443 % similar 2,4,6-Trifluorobenzyl alcohol118289-07-940 % similar 2,4,6-Trifluorobenzyl bromide151411-98-240 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Difluoro-4-methoxybenzonitrile123843-66-3 2,4-Difluoro-3-methoxybenzonitrile220353-20-8 2,3-Difluoro-4-methoxybenzonitrile256417-12-6 4,5-Difluoro-2-methoxybenzonitrile425702-28-9 2-(Difluoromethoxy)benzonitrile56935-78-5 5,6-Difluorooxindole71294-07-0 4,5-Difluorooxindole850429-64-0 4-(Difluoromethoxy)benzonitrile90446-25-6

Elsewhere

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