structure of Perfluorocyclohexanecarbonitrile

Perfluorocyclohexanecarbonitrile

CAS No.: 51579-56-7
M. Wt: 307.06400
M. Fa: C7F11N
InChI Key: -

Names and Identifiers of Perfluorocyclohexanecarbonitrile

CAS Number

51579-56-7

IUPAC Name

1,2,2,3,3,4,4,5,5,6,6-undecakis(fluoranyl)cyclohexane-1-carbonitrile

Canonical SMILES

C(#N)C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F

Physical and chemical properties of Perfluorocyclohexanecarbonitrile

Boiling Point

144.9ºC at 760 mmHg

Density

1.71g/cm3

Exact Mass

306.98600

Flash Point

41.5ºC

Index of Refraction

1.302

LogP

3.40838

Molecular Formula

C7F11N

Molecular Weight

307.06400

PSA

23.79000

Applications of Perfluorocyclohexanecarbonitrile

Perfluorocyclohexanecarbonitrile has several applications:

  • Solvent in Organic Chemistry: Due to its unique solvent properties, it is used in reactions requiring non-polar solvents.
  • Fluorinated Building Block: It serves as a precursor for synthesizing more complex fluorinated compounds used in pharmaceuticals and agrochemicals.
  • Research Tool: Its distinctive properties make it valuable in studies related to fluorine chemistry and materials science.

Interaction Studies of Perfluorocyclohexanecarbonitrile

Interaction studies involving perfluorocyclohexanecarbonitrile focus on its behavior in various chemical environments. These studies often explore:

  • Solubility Profiles: Understanding how this compound interacts with different solvents and solutes can provide insights into its utility in synthesis.
  • Reactivity with Biological Molecules: Investigating how it interacts with proteins or nucleic acids can reveal potential therapeutic applications.

Such studies are essential for assessing the compound's safety and efficacy in practical applications.

Similar Compounds

Several compounds share structural similarities with perfluorocyclohexanecarbonitrile, highlighting its uniqueness:

Compound NameMolecular FormulaKey Features
PerfluoromethylcyclohexaneC7F14C_7F_{14}Fully fluorinated structure; used as solvent
PerfluoroethylcyclopropaneC5F10C_5F_{10}Smaller ring; high stability
HexafluorocyclopenteneC5F6C_5F_6Unsaturated; reactive due to double bond
TrifluoromethylcyclopropaneC4F7C_4F_7Contains trifluoromethyl group; versatile

Retrosynthesis analysis of Perfluorocyclohexanecarbonitrile

  • Route#1

    Cas:90408-45-0
    Cas:51579-56-7
  • Route#2

    Cas:773-82-0
    Cas:51579-56-7
  • Route#3

    Cas:623-26-7
    Cas:51579-56-7

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