chempirical

4,5-Difluorooxindole

C8H5F2NOCAS 850429-64-0169.13 g/mol

Open in Covalent MOL file
FFNHO
AmideAryl halideLactam

Properties

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
850429-64-0
SMILES
C1C2=C(C=CC(=C2F)F)NC1=O
InChIKey
YUPHSWQGQCGBQH-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2NO/c9-5-1-2-6-4(8(5)10)3-7(12)11-6/h1-2H,3H2,(H,11,12)

Weigh it out

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

Work with 4,5-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

2,3,6-Trifluorophenylacetic acid114152-23-747 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-347 % similar 5-Fluoro-1,3-dihydroindol-2-one56341-41-446 % similar 2-(2,3,4-Trifluorophenyl)acetic acid243666-12-843 % similar 5-Hydroxyoxindole3416-18-043 % similar 6-Fluoro-2,3-dihydro-1H-indol-2-one56341-39-043 % similar Methyl 2-oxoindoline-4-carboxylate90924-46-240 % similar 5-(Trifluoromethyl)oxindole71293-62-440 % 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 4,6-Difluorooxindole247564-57-4 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-(Difluoromethoxy)benzonitrile90446-25-6

Elsewhere

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