(1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

C6H10ClF2N — CID 146049579

IUPAC(1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)5-3-1-9-2-4(3)5;/h3-6,9H,1-2H2;1H/t3-,4+,5?;
InChIKeyCZZCEUKPTJUSQJ-FLGDEJNQSA-N
MW169.60 g/mol
LogP1.14
Rot. Bonds1

About (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride

(1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (PubChem CID 146049579) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
PubChem CID146049579
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name(1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride
SMILESCl.FC(F)C1[C@H]2CNC[C@@H]12
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)5-3-1-9-2-4(3)5;/h3-6,9H,1-2H2;1H/t3-,4+,5?;
InChIKeyCZZCEUKPTJUSQJ-FLGDEJNQSA-N
XLogP1.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The IUPAC name of (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride (CID 146049579) is (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride.
What is the SMILES notation for (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The canonical SMILES for (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is Cl.FC(F)C1[C@H]2CNC[C@@H]12.
What is the InChIKey of (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
The InChIKey is CZZCEUKPTJUSQJ-FLGDEJNQSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)5-3-1-9-2-4(3)5;/h3-6,9H,1-2H2;1H/t3-,4+,5?;.
What are the key properties of (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride?
(1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-6-(difluoromethyl)-3-azabicyclo[3.1.0]hexane;hydrochloride is sourced from PubChem (CID 146049579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).