chempirical

2-Fluorobenzonitrile

C7H4FNCAS 394-47-8121.11 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
−13.7 °C
Boiling point
90 °C (at 21 Torr)
logP
1.70Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
394-47-8
SMILES
N#Cc1ccccc1F
InChIKey
GDHXJNRAJRCGMX-UHFFFAOYSA-N
InChI
InChI=1S/C7H4FN/c8-7-4-2-1-3-6(7)5-9/h1-4H

Weigh it out

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

Names and synonyms

8 names
  • Benzonitrile, 2-fluoro-
  • Benzonitrile, o-fluoro-
  • o-Fluorobenzonitrile
  • o-Cyanofluorobenzene
  • 2-Cyanofluorobenzene
  • 2-Fluorocyanobenzene
  • NSC 88278
  • 2-Fluorobenzenenitrile

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Difluorobenzonitrile21524-39-068 % similar 3-Fluoro-1,2-benzenedicarbonitrile65610-13-168 % similar 2-Chloro-3-fluorobenzonitrile874781-08-565 % similar 2-Amino-3-fluorobenzonitrile115661-37-563 % similar Phthalonitrile91-15-660 % similar 2,6-Difluorobenzonitrile1897-52-558 % similar 2-Fluoro-1,4-benzenedicarbonitrile1897-53-656 % similar 2,4-Difluorobenzonitrile3939-09-156 % similar

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

Same formula

4-Fluorobenzonitrile1194-02-1 3-Fluorobenzonitrile403-54-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook