chempirical

5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile

C8ClF3N2CAS 1897-50-3216.55 g/mol

Open in Covalent MOL file
NFClFNF
Aryl halideNitrile

Properties

Molecular formula
C8ClF3N2
Molar mass
216.55 g/mol
Exact mass
215.9702 Da
Melting point
109–110 °C
logP
2.50Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
1897-50-3
SMILES
N#Cc1c(F)c(Cl)c(F)c(C#N)c1F
InChIKey
GBKXRWNDORMHSG-UHFFFAOYSA-N
InChI
InChI=1S/C8ClF3N2/c9-5-7(11)3(1-13)6(10)4(2-14)8(5)12

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Benzenedicarbonitrile, 5-chloro-2,4,6-trifluoro-
  • Isophthalonitrile, 5-chloro-2,4,6-trifluoro-
  • 5-Chloro-2,4,6-trifluoroisophthalonitrile
  • 5-Chloro-2,4,6-trifluoro-1,3-benzodinitrile
  • SDB 028

Work with 5-Chloro-2,4,6-trifluoro-1,3-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

Tetrafluoroterephthalonitrile1835-49-062 % similar Pentafluorobenzonitrile773-82-059 % similar Tetrachloroterephthalonitrile1897-41-255 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-052 % similar Tetrachlorophthalonitrile1953-99-752 % similar Chlorothalonil1897-45-650 % similar 4-Amino-2,3,5,6-tetrafluorobenzonitrile17823-38-048 % similar 1,3,5-Trichloro-2,4,6-trifluorobenzene319-88-048 % similar

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

Elsewhere

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