8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C31H32F3N3O — CID 13364151

About 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 13364151) has the molecular formula C31H32F3N3O and a molecular weight of 519.61 g/mol. Its IUPAC name is 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 13364151
• Molecular Formula: C31H32F3N3O
• Molecular Weight: 519.61 g/mol
• Exact Mass: 519.25
• IUPAC Name: 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: O=C1NCN(c2ccc(F)cc2)C12CCN(C1CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC1)CC2
• InChI: InChI=1S/C31H32F3N3O/c32-24-5-1-22(2-6-24)30(23-3-7-25(33)8-4-23)15-13-27(14-16-30)36-19-17-31(18-20-36)29(38)35-21-37(31)28-11-9-26(34)10-12-28/h1-12,27H,13-21H2,(H,35,38)
• InChIKey: GXVOJUWURIQVAN-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 35.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	519.61
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 13364151) is 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccc(F)cc2)C12CCN(C1CCC(c3ccc(F)cc3)(c3ccc(F)cc3)CC1)CC2.

What is the InChIKey of 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is GXVOJUWURIQVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O/c32-24-5-1-22(2-6-24)30(23-3-7-25(33)8-4-23)15-13-27(14-16-30)36-19-17-31(18-20-36)29(38)35-21-37(31)28-11-9-26(34)10-12-28/h1-12,27H,13-21H2,(H,35,38).

What are the key properties of 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one?

8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 519.61 g/mol, XLogP of 5.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4,4-bis(4-fluorophenyl)cyclohexyl]-1-(4-fluorophenyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 13364151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).