chempirical

4-Fluorobenzonitrile

C7H4FNCAS 1194-02-1121.11 g/mol

Open in Covalent MOL file
NF
Aryl halideNitrile

Properties

Molecular formula
C7H4FN
Molar mass
121.11 g/mol
Exact mass
121.0328 Da
Density
1.32 g/mL
Melting point
34.8 °C
Boiling point
188.8 °C
logP
1.70Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
1194-02-1
SMILES
N#Cc1ccc(F)cc1
InChIKey
AEKVBBNGWBBYLL-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FN/c8-7-3-1-6(5-9)2-4-7/h1-4H

Weigh it out

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

Names and synonyms

10 names
  • Benzonitrile, 4-fluoro-
  • Benzonitrile, p-fluoro-
  • p-Fluorobenzonitrile
  • p-Cyanofluorobenzene
  • 1-Cyano-4-fluorobenzene
  • 4-Fluorocyanobenzene
  • 4-Cyanofluorobenzene
  • p-Fluorophenyl cyanide
  • NSC 88330
  • Para-fluorobenzonitrile

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,4-Dicyanobenzene623-26-767 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-657 % similar 3,5-Difluorobenzonitrile64248-63-157 % similar Benzonitrile100-47-052 % similar 4-Methylbenzonitrile104-85-850 % similar 4,4'-(1-Methylene) bis-benzonitrile10466-37-250 % similar 4,4′-(1,4-Phenylenedi-2,1-ethenediyl)bis[benzonitrile]13001-40-650 % similar 4-Cyanobiphenyl2920-38-950 % similar

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

Same formula

2-Fluorobenzonitrile394-47-8 3-Fluorobenzonitrile403-54-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook