chempirical

4-Amino-2,3,5,6-tetrafluorobenzonitrile

C7H2F4N2CAS 17823-38-0190.10 g/mol

Open in Covalent MOL file
NFFNH2FF
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H2F4N2
Molar mass
190.10 g/mol
Exact mass
190.0154 Da
Density
1.71 g/mL
Melting point
96–97 °C
logP
1.70Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
17823-38-0
SMILES
N#Cc1c(F)c(F)c(N)c(F)c1F
InChIKey
ZFQKTZQBBRHWPC-UHFFFAOYSA-N
InChI
InChI=1S/C7H2F4N2/c8-3-2(1-12)4(9)6(11)7(13)5(3)10/h13H2

Weigh it out

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

Names and synonyms

4 names
  • Benzonitrile, 4-amino-2,3,5,6-tetrafluoro-
  • 4-Aminotetrafluorobenzonitrile
  • 4-Cyanotetrafluoroaniline
  • 2,3,5,6-Tetrafluoro-4-cyanoaniline

Work with 4-Amino-2,3,5,6-tetrafluorobenzonitrile

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

Tetrafluoroterephthalonitrile1835-49-070 % similar Pentafluorobenzonitrile773-82-067 % similar 3,4,5,6-Tetrafluoro-1,2-benzenedicarbonitrile1835-65-059 % similar 2,3,5,6-Tetrafluoro-1,4-benzenediamine1198-64-755 % similar Pentafluoroaniline771-60-852 % similar 2,4,5,6-Tetrafluoro-1,3-benzenediamine1198-63-650 % similar 5-Chloro-2,4,6-trifluoro-1,3-benzenedicarbonitrile1897-50-348 % similar 4,4′-Diaminooctafluorobiphenyl1038-66-048 % similar

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

Elsewhere

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