4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

C27H30F4N2O3 — CID 21082546

IUPAC4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C27H30F4N2O3/c28-19-10-8-18(9-11-19)21-17-32-24(34)25(21)13-15-33(16-14-25)23-7-3-4-12-26(23,35)20-5-1-2-6-22(20)36-27(29,30)31/h1-2,5-6,8-11,21,23,35H,3-4,7,12-17H2,(H,32,34)
InChIKeyUDYWGOKNMYMTAE-UHFFFAOYSA-N
MW506.54 g/mol
LogP4.85
Rot. Bonds4

About 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one

4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 21082546) has the molecular formula C27H30F4N2O3 and a molecular weight of 506.54 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID21082546
Molecular FormulaC27H30F4N2O3
Molecular Weight506.54 g/mol
Exact Mass506.22
IUPAC Name4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccccc1OC(F)(F)F)CC2
InChIInChI=1S/C27H30F4N2O3/c28-19-10-8-18(9-11-19)21-17-32-24(34)25(21)13-15-33(16-14-25)23-7-3-4-12-26(23,35)20-5-1-2-6-22(20)36-27(29,30)31/h1-2,5-6,8-11,21,23,35H,3-4,7,12-17H2,(H,32,34)
InChIKeyUDYWGOKNMYMTAE-UHFFFAOYSA-N
XLogP4.85
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[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 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one (CID 21082546) is 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is O=C1NCC(c2ccc(F)cc2)C12CCN(C1CCCCC1(O)c1ccccc1OC(F)(F)F)CC2.
What is the InChIKey of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UDYWGOKNMYMTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F4N2O3/c28-19-10-8-18(9-11-19)21-17-32-24(34)25(21)13-15-33(16-14-25)23-7-3-4-12-26(23,35)20-5-1-2-6-22(20)36-27(29,30)31/h1-2,5-6,8-11,21,23,35H,3-4,7,12-17H2,(H,32,34).
What are the key properties of 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one?
4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 506.54 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-8-[2-hydroxy-2-[2-(trifluoromethoxy)phenyl]cyclohexyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 21082546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).