4,5-Difluoro-2-methoxybenzonitrile

C₈H₅F₂NOCAS 425702-28-9169.13 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitrile

Properties

Molecular formula: C₈H₅F₂NO
Molar mass: 169.13 g/mol
Exact mass: 169.0339 Da
logP: 1.85Crippen estimate
Polar surface area: 33.0 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

425702-28-9

SMILES

COc1cc(F)c(F)cc1C#N

InChIKey

HACKETIBYOIPCJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F2NO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3

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

Names and synonyms

1 names

Benzonitrile, 4,5-difluoro-2-methoxy-

Work with 4,5-Difluoro-2-methoxybenzonitrile

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

1,2-Difluoro-4,5-dimethoxybenzene203059-80-759 % similar 5-Fluoro-2-methoxybenzonitrile189628-38-459 % similar 2,4,5-Trifluorobenzonitrile98349-22-555 % similar 2-Fluoro-5-methoxybenzonitrile127667-01-054 % similar 4-Fluoro-3-methoxybenzonitrile243128-37-254 % similar 3-Fluoro-4-methoxybenzonitrile331-62-454 % similar 2-Fluoro-4-methoxybenzonitrile94610-82-954 % similar 1,4-Difluoro-2,5-dimethoxybenzene199866-90-554 % 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

Elsewhere

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