chempirical

4-(Difluoromethoxy)benzonitrile

C8H5F2NOCAS 90446-25-6169.13 g/mol

Open in Covalent MOL file
NOFF
Alkyl halideEtherNitrile

Properties

Molecular formula
C8H5F2NO
Molar mass
169.13 g/mol
Exact mass
169.0339 Da
logP
2.16Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
90446-25-6
SMILES
C1=CC(=CC=C1C#N)OC(F)F
InChIKey
OGMOYCCCAFJQKI-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H

Weigh it out

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

Work with 4-(Difluoromethoxy)benzonitrile

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

(Difluoromethoxy)benzene458-92-456 % similar 4-(Difluoromethoxy)phenylacetonitrile41429-16-755 % similar 4-Fluorobenzonitrile1194-02-150 % similar 1-(Difluoromethoxy)-4-iodobenzene128140-82-950 % similar 1-(Difluoromethoxy)-4-methylbenzene1583-83-150 % similar 4-(Difluoromethoxy)aniline22236-10-850 % similar 4-Phenoxybenzonitrile3096-81-950 % similar 4-(Trifluoromethoxy)benzonitrile332-25-250 % 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 4,5-Difluorooxindole850429-64-0

Elsewhere

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