3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

C11H19F2N — CID 129231468

IUPAC3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)CCN1CC2C(C1)C2(F)F
InChIInChI=1S/C11H19F2N/c1-10(2,3)4-5-14-6-8-9(7-14)11(8,12)13/h8-9H,4-7H2,1-3H3
InChIKeyHJVJQRLTNMTHSV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.62
Rot. Bonds2

About 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane

3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (PubChem CID 129231468) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
PubChem CID129231468
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane
SMILESCC(C)(C)CCN1CC2C(C1)C2(F)F
InChIInChI=1S/C11H19F2N/c1-10(2,3)4-5-14-6-8-9(7-14)11(8,12)13/h8-9H,4-7H2,1-3H3
InChIKeyHJVJQRLTNMTHSV-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(3,3-dimethylbutyl)-6,6-difluoro-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 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane (CID 129231468) is 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is CC(C)(C)CCN1CC2C(C1)C2(F)F.
What is the InChIKey of 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
The InChIKey is HJVJQRLTNMTHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-10(2,3)4-5-14-6-8-9(7-14)11(8,12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane?
3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane has a molecular weight of 203.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutyl)-6,6-difluoro-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 129231468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).