chempirical

2-(Difluoromethoxy)benzonitrile

C8H5F2NOCAS 56935-78-5169.13 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
56935-78-5
SMILES
C1=CC=C(C(=C1)C#N)OC(F)F
InChIKey
PLTPHQGNJHSBBR-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F2NO/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8H

Weigh it out

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

Work with 2-(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

1-Bromo-2-(difluoromethoxy)benzene175278-33-852 % similar 2-Methoxybenzonitrile6609-56-952 % similar 2-(Trifluoromethoxy)benzonitrile63968-85-452 % similar 2-(Difluoromethoxy)phenylacetonitrile41429-22-551 % similar 2-(Difluoromethoxy)aniline22236-04-050 % similar 2-Ethoxybenzonitrile6609-57-047 % similar 2-(Difluoromethoxy)benzaldehyde71653-64-047 % similar 2-Fluorobenzonitrile394-47-847 % 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 5,6-Difluorooxindole71294-07-0 4,5-Difluorooxindole850429-64-0 4-(Difluoromethoxy)benzonitrile90446-25-6

Elsewhere

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