6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride

Name: 6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride
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CAS No. 1215071-13-8
Cat. No. CS-0075530
Molecule weight155.57
Purity≥97%
MDL No.None

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6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride|CS-0075530

Structure of 1215071-13-8

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General Information

CAS No. 1215071-13-8
Cat. No. CS-0075530
Purity ≥97%
MDL No. None
Storage Store at room temperature
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₅H₈ClF₂N
Molecular Weight 155.57
Synonym(s) 3-Azabicyclo[3.1.0]hexane, 6,6-difluoro-, hydrochloride
SMILES FC1(C2CNCC21)F.Cl

Description

6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride is a sterically constrained, electron-deficient heterocycle featuring two fluorine atoms at the bridgehead positions. This bench-stable salt delivers enhanced metabolic stability and improved solubility in polar media, enabling efficient incorporation into bioactive molecules. The para-fluorinated bicyclic scaffold serves as a rigid, conformationally locked building block for medicinal chemistry campaigns targeting CNS disorders and kinase inhibitors.

Application

6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride serves as a conformationally constrained nitrogen heterocycle enabling precise spatial positioning of functional groups in medicinal chemistry. The difluorinated bridge enhances metabolic stability and modulates electronic properties, while the protonated amine facilitates salt formation for improved solubility and handling. It functions as a key scaffold in the synthesis of bioactive molecules, particularly in CNS-targeted compounds, and exhibits excellent compatibility with standard coupling reactions and protecting group strategies.

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

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Computational Chemistry Data

TPSA 12.03
LogP 0.8927
H_Acceptors 1
H_Donors 1
Rotatable_Bonds 0

Other Classifications

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Fatty ring compounds Cyclopropane compounds

Building Blocks Skeleton Bridge Rings compounds Other bridge ring compounds

Key Words

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6,6-Difluoro-3-azabicyclo[3.1.0]hexane hydrochloride

CAS No. 1215071-13-8

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