chempirical

2-Dimethylamino-6-fluorobenzonitrile

C9H9FN2CAS 96994-73-9164.18 g/mol

Open in Covalent MOL file
NFN
Aryl halideNitrileTertiary amine

Properties

Molecular formula
C9H9FN2
Molar mass
164.18 g/mol
Exact mass
164.0750 Da
logP
1.76Crippen estimate
Polar surface area
27.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
96994-73-9
SMILES
CN(C)C1=C(C(=CC=C1)F)C#N
InChIKey
WWNKVUULRIWDJZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H9FN2/c1-12(2)9-5-3-4-8(10)7(9)6-11/h3-5H,1-2H3

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Work with 2-Dimethylamino-6-fluorobenzonitrile

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-Fluoro-6-methylbenzonitrile198633-76-056 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-155 % similar 2-Chloro-6-fluorobenzonitrile668-45-153 % similar 2-Bromo-6-fluorobenzonitrile79544-27-753 % similar 2-Cyano-3-fluorophenol140675-43-051 % similar 2-Amino-6-fluorobenzonitrile77326-36-451 % similar 2-Fluoro-6-iodobenzonitrile79544-29-951 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook