chempirical

2-Fluoro-5-methoxybenzonitrile

C8H6FNOCAS 127667-01-0151.14 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
Melting point
82–84 °C
logP
1.71Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
127667-01-0
SMILES
COc1ccc(F)c(C#N)c1
InChIKey
VBZLRHYLNXWZIU-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names
  • Benzonitrile, 2-fluoro-5-methoxy-
  • 2-Fluoro-5-(methyloxy)benzonitrile

Work with 2-Fluoro-5-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-Fluoro-4-methoxybenzonitrile94610-82-975 % similar 2,5-Dimethoxybenzonitrile5312-97-064 % similar 1,2-Difluoro-4-methoxybenzene115144-40-658 % similar 2,6-Difluoro-4-methoxybenzonitrile123843-66-356 % similar 1-Fluoro-2,4-dimethoxybenzene17715-70-755 % similar 2,5-Difluorobenzonitrile64248-64-255 % similar 4,5-Difluoro-2-methoxybenzonitrile425702-28-954 % similar 2,4-Difluoro-3-methoxybenzonitrile220353-20-854 % similar

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

Same formula

3-Fluoro-4-methylphenyl isocyanate102561-42-2 1-Fluoro-4-(isocyanatomethyl)benzene132740-43-3 5-Fluoro-2-methoxybenzonitrile189628-38-4 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

Elsewhere

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