chempirical

2-Fluoro-6-methylbenzonitrile

C8H6FNCAS 198633-76-0135.14 g/mol

Open in Covalent MOL file
FN
Aryl halideNitrile

Properties

Molecular formula
C8H6FN
Molar mass
135.14 g/mol
Exact mass
135.0484 Da
logP
2.01Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
198633-76-0
SMILES
CC1=C(C(=CC=C1)F)C#N
InChIKey
UCSKOUQDVWADGZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3

Weigh it out

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

Work with 2-Fluoro-6-methylbenzonitrile

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-Difluorobenzonitrile1897-52-569 % similar 2,6-Dimethylbenzonitrile6575-13-969 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-160 % similar 2-Chloro-6-methylbenzonitrile6575-09-358 % similar 2-Chloro-6-fluorobenzonitrile668-45-158 % similar 2-Cyano-3-fluorophenol140675-43-056 % similar 2-Amino-6-fluorobenzonitrile77326-36-456 % similar 2-Fluoro-6-methoxybenzonitrile94088-46-756 % similar

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

Same formula

4-Fluoro-2-methylbenzonitrile147754-12-9 3-Fluoro-4-methylbenzonitrile170572-49-3 3-Fluoro-2-methylbenzonitrile185147-06-2 4-Fluoro-3-methylbenzonitrile185147-08-4 2-Fluorobenzeneacetonitrile326-62-5 7-Fluoro-1H-indole387-44-0 5-Fluoroindole399-52-0 4-Fluorobenzeneacetonitrile459-22-3

Elsewhere

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