4-Fluoro-1,2-benzenedicarbonitrile

C₈H₃FN₂CAS 65610-14-2146.12 g/mol

Open in Covalent MOL file

Aryl halide Nitrile

Properties

Molecular formula: C₈H₃FN₂
Molar mass: 146.12 g/mol
Exact mass: 146.0280 Da
logP: 1.57Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

65610-14-2

SMILES

N#Cc1ccc(F)cc1C#N

InChIKey

QQEKYCCJLSRLEC-UHFFFAOYSA-N

InChI

InChI=1S/C8H3FN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H

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

Names and synonyms

2 names

1,2-Benzenedicarbonitrile, 4-fluoro-
4-Fluorophthalonitrile

Work with 4-Fluoro-1,2-benzenedicarbonitrile

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

2,4-Difluorobenzonitrile3939-09-169 % similar 2,5-Difluorobenzonitrile64248-64-269 % similar 4-Fluoro-2-methylbenzonitrile147754-12-964 % similar 2-Bromo-4-fluorobenzonitrile36282-26-564 % similar 2-Bromo-5-fluorobenzonitrile57381-39-264 % similar 2-Chloro-5-fluorobenzonitrile57381-56-364 % similar 2-Chloro-4-fluorobenzonitrile60702-69-464 % similar 5-Fluoro-2-(trifluoromethyl)benzonitrile240800-45-760 % similar

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

Same formula

2-Fluoro-1,4-benzenedicarbonitrile1897-53-6 3-Fluoro-1,2-benzenedicarbonitrile65610-13-1

Elsewhere

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