3-Fluoro-1,2-benzenedicarbonitrile

C₈H₃FN₂CAS 65610-13-1146.12 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

65610-13-1

SMILES

N#Cc1cccc(F)c1C#N

InChIKey

SAPTYURANIHAPE-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

1,2-Benzenedicarbonitrile, 3-fluoro-
3-Fluorophthalonitrile
1,2-Dicyano-3-fluorobenzene

Work with 3-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

2,6-Difluorobenzonitrile1897-52-575 % similar 2-Fluorobenzonitrile394-47-868 % similar 2,3-Difluorobenzonitrile21524-39-064 % similar 2-Chloro-6-fluorobenzonitrile668-45-162 % similar 2-Chloro-3-fluorobenzonitrile874781-08-562 % similar 2-Amino-3-fluorobenzonitrile115661-37-560 % similar 2-Cyano-3-fluorophenol140675-43-060 % similar 2-Amino-6-fluorobenzonitrile77326-36-460 % similar

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

Same formula

2-Fluoro-1,4-benzenedicarbonitrile1897-53-6 4-Fluoro-1,2-benzenedicarbonitrile65610-14-2

Elsewhere

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