chempirical

5-Fluoro-2-methoxybenzonitrile

C8H6FNOCAS 189628-38-4151.14 g/mol

Open in Covalent MOL file
OFN
Aryl halideEtherNitrile

Properties

Molecular formula
C8H6FNO
Molar mass
151.14 g/mol
Exact mass
151.0433 Da
logP
1.71Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
189628-38-4
SMILES
COc1ccc(F)cc1C#N
InChIKey
XNCVSNKXADJGOG-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4H,1H3

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

Names and synonyms

2 names
  • Benzonitrile, 5-fluoro-2-methoxy-
  • 3-Fluoro-6-methoxybenzonitrile

Work with 5-Fluoro-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

2,5-Dimethoxybenzonitrile5312-97-064 % similar 5-Bromo-2-methoxybenzonitrile144649-99-060 % similar 5-Chloro-2-methoxybenzonitrile55877-79-760 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-959 % similar 4-Fluoro-1,2-benzenedicarbonitrile65610-14-258 % similar 2,3-Difluoro-4-methoxybenzonitrile256417-12-657 % similar 2-Methoxybenzonitrile6609-56-956 % similar 2,4-Difluoroanisole452-10-855 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Fluoro-4-methylphenyl isocyanate102561-42-2 2-Fluoro-5-methoxybenzonitrile127667-01-0 4-Fluoro-3-methoxybenzonitrile243128-37-2 3-Fluoro-4-methoxybenzonitrile331-62-4 5-Fluoro-1,3-dihydroindol-2-one56341-41-4 5-Fluoro-2-methylphenyl isocyanate67191-93-9 7-Fluoro-1,3-dihydro-2H-indol-2-one71294-03-6 2-Fluoro-6-methoxybenzonitrile94088-46-7

Elsewhere

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