8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one

C18H22F3NO2 — CID 58230142

IUPAC8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCC1(O)CCC2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C18H22F3NO2/c1-16(24)6-8-17(9-7-16)10-11-22(15(17)23)14-4-2-13(3-5-14)12-18(19,20)21/h2-5,24H,6-12H2,1H3
InChIKeyBJBUSTWYODPNGT-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.84
Rot. Bonds2

About 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 58230142) has the molecular formula C18H22F3NO2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID58230142
Molecular FormulaC18H22F3NO2
Molecular Weight341.37 g/mol
Exact Mass341.16
IUPAC Name8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCC1(O)CCC2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C18H22F3NO2/c1-16(24)6-8-17(9-7-16)10-11-22(15(17)23)14-4-2-13(3-5-14)12-18(19,20)21/h2-5,24H,6-12H2,1H3
InChIKeyBJBUSTWYODPNGT-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one 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 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 58230142) is 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one is CC1(O)CCC2(CCN(c3ccc(CC(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is BJBUSTWYODPNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3NO2/c1-16(24)6-8-17(9-7-16)10-11-22(15(17)23)14-4-2-13(3-5-14)12-18(19,20)21/h2-5,24H,6-12H2,1H3.
What are the key properties of 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 341.37 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-methyl-2-[4-(2,2,2-trifluoroethyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).