3-(Difluoromethoxy)benzonitrile

C₈H₅F₂NOCAS 97582-88-2169.13 g/mol

Open in Covalent MOL file

Alkyl halide Ether Nitrile

Properties

Molecular formula: C₈H₅F₂NO
Molar mass: 169.13 g/mol
Exact mass: 169.0339 Da
logP: 2.16Crippen estimate
Polar surface area: 33.0 Å²
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

97582-88-2

SMILES

C1=CC(=CC(=C1)OC(F)F)C#N

InChIKey

JCBOPIBHZFBHQW-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3-(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

4-(Difluoromethoxy)benzonitrile90446-25-663 % similar 3-Methoxybenzonitrile1527-89-561 % similar 3-(Trifluoromethoxy)benzonitrile52771-22-956 % similar 3-(Difluoromethoxy)phenylacetonitrile41429-18-955 % similar (Difluoromethoxy)benzene458-92-453 % similar 3-Fluorobenzonitrile403-54-353 % similar Isophthalonitrile626-17-552 % similar 3-(Difluoromethoxy)aniline22236-08-451 % 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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