3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane

C18H24F3N — CID 91609214

IUPAC3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane
SMILESCC1(C)CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C18H24F3N/c1-16(2)7-8-17(13-16)9-11-22(12-10-17)15-5-3-14(4-6-15)18(19,20)21/h3-6H,7-13H2,1-2H3
InChIKeyHWAZCMCXNWTTAS-UHFFFAOYSA-N
MW311.39 g/mol
LogP5.50
Rot. Bonds1

About 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane

3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane (PubChem CID 91609214) has the molecular formula C18H24F3N and a molecular weight of 311.39 g/mol. Its IUPAC name is 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane
PubChem CID91609214
Molecular FormulaC18H24F3N
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane
SMILESCC1(C)CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1
InChIInChI=1S/C18H24F3N/c1-16(2)7-8-17(13-16)9-11-22(12-10-17)15-5-3-14(4-6-15)18(19,20)21/h3-6H,7-13H2,1-2H3
InChIKeyHWAZCMCXNWTTAS-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.39
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane 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-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane?
The IUPAC name of 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane (CID 91609214) is 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane?
The canonical SMILES for 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane is CC1(C)CCC2(CCN(c3ccc(C(F)(F)F)cc3)CC2)C1.
What is the InChIKey of 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane?
The InChIKey is HWAZCMCXNWTTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N/c1-16(2)7-8-17(13-16)9-11-22(12-10-17)15-5-3-14(4-6-15)18(19,20)21/h3-6H,7-13H2,1-2H3.
What are the key properties of 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane?
3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane has a molecular weight of 311.39 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-8-[4-(trifluoromethyl)phenyl]-8-azaspiro[4.5]decane is sourced from PubChem (CID 91609214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).