1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane

C6H9F2N — CID 75481813

IUPAC1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)C12CNCC1C2
InChIInChI=1S/C6H9F2N/c7-5(8)6-1-4(6)2-9-3-6/h4-5,9H,1-3H2
InChIKeyNRTAXGWWRFXJOB-UHFFFAOYSA-N
MW133.14 g/mol
LogP0.86
Rot. Bonds1

About 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane

1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane (PubChem CID 75481813) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
PubChem CID75481813
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
SMILESFC(F)C12CNCC1C2
InChIInChI=1S/C6H9F2N/c7-5(8)6-1-4(6)2-9-3-6/h4-5,9H,1-3H2
InChIKeyNRTAXGWWRFXJOB-UHFFFAOYSA-N
XLogP0.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane 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 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane (CID 75481813) is 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane is FC(F)C12CNCC1C2.
What is the InChIKey of 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is NRTAXGWWRFXJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N/c7-5(8)6-1-4(6)2-9-3-6/h4-5,9H,1-3H2.
What are the key properties of 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane?
1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 133.14 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 75481813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).