2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane

C12H22F2N2 — CID 154672060

IUPAC2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCC(C)N1CC2(CCN(C)CC2(F)F)C1
InChIInChI=1S/C12H22F2N2/c1-4-10(2)16-7-11(8-16)5-6-15(3)9-12(11,13)14/h10H,4-9H2,1-3H3
InChIKeyPDYDZEYILTUOKN-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.06
Rot. Bonds2

About 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane

2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 154672060) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID154672060
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCCC(C)N1CC2(CCN(C)CC2(F)F)C1
InChIInChI=1S/C12H22F2N2/c1-4-10(2)16-7-11(8-16)5-6-15(3)9-12(11,13)14/h10H,4-9H2,1-3H3
InChIKeyPDYDZEYILTUOKN-UHFFFAOYSA-N
XLogP2.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]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 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane (CID 154672060) is 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane is CCC(C)N1CC2(CCN(C)CC2(F)F)C1.
What is the InChIKey of 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is PDYDZEYILTUOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-4-10(2)16-7-11(8-16)5-6-15(3)9-12(11,13)14/h10H,4-9H2,1-3H3.
What are the key properties of 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane?
2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 232.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5,5-difluoro-7-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 154672060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).