chempirical

3-Fluorobenzonitrile

C7H4FNCAS 403-54-3121.11 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
Melting point
−16 °C
Boiling point
182.5 °C
logP
1.70Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
403-54-3
SMILES
N#Cc1cccc(F)c1
InChIKey
JZTPKAROPNTQQV-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • Benzonitrile, 3-fluoro-
  • Benzonitrile, m-fluoro-
  • m-Fluorobenzonitrile
  • m-Cyanofluorobenzene
  • NSC 88310
  • 3-Fluorobenzenenitrile

Work with 3-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

Isophthalonitrile626-17-568 % similar 3,5-Difluorobenzonitrile64248-63-163 % similar 3-Chlorobenzonitrile766-84-756 % similar 3-Cyanophenol873-62-156 % similar 3-Aminobenzonitrile2237-30-154 % similar 3-Methylbenzonitrile620-22-454 % similar 3-Bromobenzonitrile6952-59-654 % similar 3-(Trifluoromethyl)benzonitrile368-77-453 % similar

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

Same formula

4-Fluorobenzonitrile1194-02-1 2-Fluorobenzonitrile394-47-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook