2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one

C20H26F3NO2 — CID 58230068

IUPAC2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)c1ccc(N2CCC3(CCC(O)(C(F)(F)F)CC3)C2=O)cc1
InChIInChI=1S/C20H26F3NO2/c1-17(2,3)14-4-6-15(7-5-14)24-13-12-18(16(24)25)8-10-19(26,11-9-18)20(21,22)23/h4-7,26H,8-13H2,1-3H3
InChIKeyPQIVHOKJTDSWTR-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.57
Rot. Bonds1

About 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one

2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one (PubChem CID 58230068) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
PubChem CID58230068
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one
SMILESCC(C)(C)c1ccc(N2CCC3(CCC(O)(C(F)(F)F)CC3)C2=O)cc1
InChIInChI=1S/C20H26F3NO2/c1-17(2,3)14-4-6-15(7-5-14)24-13-12-18(16(24)25)8-10-19(26,11-9-18)20(21,22)23/h4-7,26H,8-13H2,1-3H3
InChIKeyPQIVHOKJTDSWTR-UHFFFAOYSA-N
XLogP4.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one (CID 58230068) is 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one is CC(C)(C)c1ccc(N2CCC3(CCC(O)(C(F)(F)F)CC3)C2=O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is PQIVHOKJTDSWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO2/c1-17(2,3)14-4-6-15(7-5-14)24-13-12-18(16(24)25)8-10-19(26,11-9-18)20(21,22)23/h4-7,26H,8-13H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one?
2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 369.43 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-8-hydroxy-8-(trifluoromethyl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 58230068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).