structure of 1,1-Difluoro-4-isocyanocyclohexane

1,1-Difluoro-4-isocyanocyclohexane

CAS No.: 1000698-98-5
M. Wt: 145.15000
M. Fa: C7H9F2N
InChI Key: DCLSKEZWHCFPKU-UHFFFAOYSA-N

Names and Identifiers of 1,1-Difluoro-4-isocyanocyclohexane

CAS Number

1000698-98-5

IUPAC Name

1,1-difluoro-4-isocyanocyclohexane

InChI

InChI=1S/C7H9F2N/c1-10-6-2-4-7(8,9)5-3-6/h6H,2-5H2

InChIKey

DCLSKEZWHCFPKU-UHFFFAOYSA-N

Canonical SMILES

[C-]#[N+]C1CCC(CC1)(F)F

Physical and chemical properties of 1,1-Difluoro-4-isocyanocyclohexane

Exact Mass

145.07000

LogP

1.71430

Molecular Formula

C7H9F2N

Molecular Weight

145.15000

Safety Information of 1,1-Difluoro-4-isocyanocyclohexane

Pictograms

Signal Word

 Warning

Safety Data Sheet
Supports customized editing of SDS information and downloading in PDF documents.

Applications of 1,1-Difluoro-4-isocyanocyclohexane

1,1-Difluoro-4-isocyanocyclohexane has potential applications in various fields:

  • Pharmaceuticals: As a building block in drug synthesis, particularly for compounds requiring specific fluorinated functionalities.
  • Agricultural chemicals: It may serve as an intermediate in the synthesis of agrochemicals.
  • Materials science: Its unique properties could be utilized in developing advanced materials with tailored characteristics.

Interaction Studies of 1,1-Difluoro-4-isocyanocyclohexane

Interaction studies involving 1,1-difluoro-4-isocyanocyclohexane primarily focus on its reactivity with biological molecules. The compound's isocyanate group can react with amino acids and proteins, potentially leading to modifications that affect protein function. Understanding these interactions is crucial for assessing both its therapeutic potential and toxicity.

Retrosynthesis analysis of 1,1-Difluoro-4-isocyanocyclohexane

  • Route#1

    Cas:458566-84-2
    Cas:1000698-98-5