chempirical

3,5-Dicyanofluorobenzene

C8H3FN2CAS 453565-55-4146.12 g/mol

Open in Covalent MOL file
NFN
Aryl halideNitrile

Properties

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

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
453565-55-4
SMILES
C1=C(C=C(C=C1C#N)F)C#N
InChIKey
IJOYGTWYIUJJRU-UHFFFAOYSA-N
InChI
InChI=1S/C8H3FN2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3H

Weigh it out

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Names and synonyms

1 names
  • 5-Fluoroisophthalonitrile

Work with 3,5-Dicyanofluorobenzene

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

3,5-Difluorobenzonitrile64248-63-189 % similar 3-Bromo-5-fluorobenzonitrile179898-34-168 % similar 3-Amino-5-fluorobenzonitrile210992-28-268 % similar 3-Fluoro-5-methylbenzonitrile216976-30-668 % similar 3-Chloro-5-fluorobenzonitrile327056-73-568 % similar 3-Fluoro-5-(trifluoromethyl)benzonitrile149793-69-163 % similar 3-Fluorobenzonitrile403-54-363 % similar 3-Fluoro-5-formylbenzonitrile1003708-42-661 % 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 4-Fluoro-1,2-benzenedicarbonitrile65610-14-2

Elsewhere

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