(6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane

C12H21F2N — CID 122451395

IUPAC(6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane
SMILESCC(C)[C@@H]1CC2(CN1C(C)C)CC2(F)F
InChIInChI=1S/C12H21F2N/c1-8(2)10-5-11(6-12(11,13)14)7-15(10)9(3)4/h8-10H,5-7H2,1-4H3/t10-,11?/m0/s1
InChIKeyXEPHIGPIAFWMIA-VUWPPUDQSA-N
MW217.30 g/mol
LogP3.15
Rot. Bonds2

About (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane

(6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane (PubChem CID 122451395) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name(6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane
PubChem CID122451395
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name(6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane
SMILESCC(C)[C@@H]1CC2(CN1C(C)C)CC2(F)F
InChIInChI=1S/C12H21F2N/c1-8(2)10-5-11(6-12(11,13)14)7-15(10)9(3)4/h8-10H,5-7H2,1-4H3/t10-,11?/m0/s1
InChIKeyXEPHIGPIAFWMIA-VUWPPUDQSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane 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 (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
The IUPAC name of (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane (CID 122451395) is (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
The canonical SMILES for (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane is CC(C)[C@@H]1CC2(CN1C(C)C)CC2(F)F.
What is the InChIKey of (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
The InChIKey is XEPHIGPIAFWMIA-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H21F2N/c1-8(2)10-5-11(6-12(11,13)14)7-15(10)9(3)4/h8-10H,5-7H2,1-4H3/t10-,11?/m0/s1.
What are the key properties of (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane?
(6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane has a molecular weight of 217.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2-difluoro-5,6-di(propan-2-yl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 122451395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).