chempirical

3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile

C8F4N2CAS 1835-65-0200.10 g/mol

Open in Covalent MOL file
NFFFFN
Aryl halideNitrile

Properties

Molecular formula
C8F4N2
Molar mass
200.10 g/mol
Exact mass
199.9998 Da
Melting point
83 °C
logP
1.99Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1835-65-0
SMILES
N#Cc1c(F)c(F)c(F)c(F)c1C#N
InChIKey
OFLRJMBSWDXSPG-UHFFFAOYSA-N
InChI
InChI=1S/C8F4N2/c9-5-3(1-13)4(2-14)6(10)8(12)7(5)11

Weigh it out

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

Names and synonyms

10 names
  • 1,2-Benzenedicarbonitrile, 3,4,5,6-tetrafluoro-
  • Phthalonitrile, tetrafluoro-
  • Tetrafluorophthalonitrile
  • 1,2-Dicyanotetrafluorobenzene
  • 3,4,5,6-Tetrafluorophthalodinitrile
  • 3,4,5,6-Tetrafluorophthalonitrile
  • 1,2-Dicyano-3,4,5,6-tetrafluorobenzene
  • 3,4,5,6-Tetrafluoro-1,2-dicyanobenzene
  • Perfluorophthalonitrile
  • Tetrafluoro-1,2-dicyanobenzene

Work with 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile

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

Pentafluorobenzonitrile773-82-088 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-059 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-352 % similar 2,6-Difluorobenzonitrile1897-52-542 % similar 3,4,5-Trifluorobenzonitrile134227-45-540 % similar Hexafluorobenzene392-56-340 % similar Tetrachloroterephthalonitrile1897-41-238 % similar 2,3,4,5,6-Pentafluorobenzeneacetonitrile653-30-538 % similar

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

Same formula

Tetrafluoroterephthalonitrile1835-49-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook