8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one

C20H26F3NO3 — CID 76709403

IUPAC8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCC(C)C1(O)CCC2(CCN(c3ccc(C(O)C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C20H26F3NO3/c1-13(2)19(27)9-7-18(8-10-19)11-12-24(17(18)26)15-5-3-14(4-6-15)16(25)20(21,22)23/h3-6,13,16,25,27H,7-12H2,1-2H3
InChIKeyLZDVBFCPBOXPJR-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.97
Rot. Bonds3

About 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one

8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 76709403) has the molecular formula C20H26F3NO3 and a molecular weight of 385.43 g/mol. Its IUPAC name is 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one
PubChem CID76709403
Molecular FormulaC20H26F3NO3
Molecular Weight385.43 g/mol
Exact Mass385.19
IUPAC Name8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one
SMILESCC(C)C1(O)CCC2(CCN(c3ccc(C(O)C(F)(F)F)cc3)C2=O)CC1
InChIInChI=1S/C20H26F3NO3/c1-13(2)19(27)9-7-18(8-10-19)11-12-24(17(18)26)15-5-3-14(4-6-15)16(25)20(21,22)23/h3-6,13,16,25,27H,7-12H2,1-2H3
InChIKeyLZDVBFCPBOXPJR-UHFFFAOYSA-N
XLogP3.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)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-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one (CID 76709403) is 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one is CC(C)C1(O)CCC2(CCN(c3ccc(C(O)C(F)(F)F)cc3)C2=O)CC1.
What is the InChIKey of 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is LZDVBFCPBOXPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO3/c1-13(2)19(27)9-7-18(8-10-19)11-12-24(17(18)26)15-5-3-14(4-6-15)16(25)20(21,22)23/h3-6,13,16,25,27H,7-12H2,1-2H3.
What are the key properties of 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one?
8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 385.43 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-8-propan-2-yl-2-[4-(2,2,2-trifluoro-1-hydroxyethyl)phenyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 76709403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).