chempirical

Pentafluorobenzonitrile

C7F5NCAS 773-82-0193.08 g/mol

Open in Covalent MOL file
NFFFFF
Aryl halideNitrile

Properties

Molecular formula
C7F5N
Molar mass
193.08 g/mol
Exact mass
192.9951 Da
Melting point
2.4 °C
Boiling point
162 °C
logP
2.25Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
773-82-0
SMILES
N#Cc1c(F)c(F)c(F)c(F)c1F
InChIKey
YXWJGZQOGXGSSC-UHFFFAOYSA-N
InChI
InChI=1S/C7F5N/c8-3-2(1-13)4(9)6(11)7(12)5(3)10

Weigh it out

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

Names and synonyms

8 names
  • Benzonitrile, 2,3,4,5,6-pentafluoro-
  • Benzonitrile, pentafluoro-
  • 2,3,4,5,6-Pentafluorobenzonitrile
  • Perfluorobenzonitrile
  • Pentafluorocyanobenzene
  • Cyanopentafluorobenzene
  • Pentafluorophenyl cyanide
  • NSC 88294

Work with Pentafluorobenzonitrile

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

Tetrafluoroterephthalonitrile1835-49-093 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-088 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-067 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-359 % similar 2,6-Difluorobenzonitrile1897-52-542 % similar 3,4,5-Trifluorobenzonitrile134227-45-540 % similar Hexafluorobenzene392-56-340 % similar Tetrachloroterephthalonitrile1897-41-238 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook