2-Dimethylamino-6-fluorobenzonitrile

C₉H₉FN₂CAS 96994-73-9164.18 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Tertiary 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 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation20% of notifiers

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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

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

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