5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane

C16H29F2N — CID 171756202

IUPAC5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane
SMILESCC(C)(C)C1CCCC2(CN1C(C)(C)C)CC2(F)F
InChIInChI=1S/C16H29F2N/c1-13(2,3)12-8-7-9-15(10-16(15,17)18)11-19(12)14(4,5)6/h12H,7-11H2,1-6H3
InChIKeyWPXJEEMRITXDNW-UHFFFAOYSA-N
MW273.41 g/mol
LogP4.71
Rot. Bonds

About 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane

5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane (PubChem CID 171756202) has the molecular formula C16H29F2N and a molecular weight of 273.41 g/mol. Its IUPAC name is 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane.

Molecular Properties

Compound Name5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane
PubChem CID171756202
Molecular FormulaC16H29F2N
Molecular Weight273.41 g/mol
Exact Mass273.23
IUPAC Name5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane
SMILESCC(C)(C)C1CCCC2(CN1C(C)(C)C)CC2(F)F
InChIInChI=1S/C16H29F2N/c1-13(2,3)12-8-7-9-15(10-16(15,17)18)11-19(12)14(4,5)6/h12H,7-11H2,1-6H3
InChIKeyWPXJEEMRITXDNW-UHFFFAOYSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane 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 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane?
The IUPAC name of 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane (CID 171756202) is 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane.
What is the SMILES notation for 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane?
The canonical SMILES for 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane is CC(C)(C)C1CCCC2(CN1C(C)(C)C)CC2(F)F.
What is the InChIKey of 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane?
The InChIKey is WPXJEEMRITXDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F2N/c1-13(2,3)12-8-7-9-15(10-16(15,17)18)11-19(12)14(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane?
5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane has a molecular weight of 273.41 g/mol, XLogP of 4.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-2,2-difluoro-5-azaspiro[2.6]nonane is sourced from PubChem (CID 171756202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).