chempirical

2-Fluoro-6-methoxybenzonitrile

C8H6FNOCAS 94088-46-7151.14 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
93–95 °C
logP
1.71Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
94088-46-7
SMILES
COc1cccc(F)c1C#N
InChIKey
YPMSIWYNTPSPMV-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3

Weigh it out

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

Names and synonyms

3 names
  • Benzonitrile, 2-fluoro-6-methoxy-
  • 2-Methoxy-6-fluorobenzonitrile
  • 6-Methoxy-2-fluorobenzonitrile

Work with 2-Fluoro-6-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

2,6-Difluorobenzonitrile1897-52-562 % similar 2-Fluoroanisole321-28-860 % similar 2-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-656 % similar 2-Amino-6-fluorobenzonitrile77326-36-456 % similar 1,2-Difluoro-3-methoxybenzene134364-69-555 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-155 % similar 2-Chloro-6-fluorobenzonitrile668-45-153 % similar 2-[(4-Chlorophenyl)methoxy]-6-fluorobenzonitrile175204-10-152 % 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 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

Elsewhere

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