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CS-W001157 4
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8,8-Difluoro-3-azabicyclo[3.2.1]octane hydrochloride

  • CAS No. 1779942-70-9

  • Cat. No. CS-0049981
  • Purity≥97%
  • MDL No.MFCD28166299

*For research and further manufacturing use only, not for direct human use.

8,8-Difluoro-3-azabicyclo[3.2.1]octane hydrochloride|CS-0049981

Structure of 1779942-70-9

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General Information

  • CAS No. 1779942-70-9
  • Cat. No. CS-0049981
  • Purity ≥97%
  • MDL No. MFCD28166299
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂ClF₂N
  • Molecular Weight 183.63
  • Synonym(s) None
  • SMILES FC1([C@H]2CC[C@@H]1CNC2)F.Cl

Description

8,8-Difluoro-3-azabicyclo[3.2.1]octane hydrochloride is a sterically constrained, electron-deficient heterocycle featuring two fluorine atoms at the bridgehead positions. This configuration imparts enhanced metabolic stability and modulates basicity, enabling its use as a key scaffold in medicinal chemistry for targeted CNS drug discovery.

Application

8,8-Difluoro-3-azabicyclo[3.2.1]octane hydrochloride serves as a conformationally constrained, fluorinated nitrogen heterocycle ideal for medicinal chemistry applications. The difluoro substitution at the bridgehead positions enhances metabolic stability and modulates lipophilicity, while the tertiary amine functionality enables facile salt formation and solubility optimization. This scaffold functions effectively in ligand design, facilitating target engagement through defined spatial orientation and improved binding affinity in GPCR and kinase targets.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   12.03
  • LogP   1.6729
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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