8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C25H26F6N2O3 — CID 10279456

About 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10279456) has the molecular formula C25H26F6N2O3 and a molecular weight of 516.48 g/mol. Its IUPAC name is 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 10279456
• Molecular Formula: C25H26F6N2O3
• Molecular Weight: 516.48 g/mol
• Exact Mass: 516.18
• IUPAC Name: 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: COC(CC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)N1CCC2(CC1)CNC(=O)O2
• InChI: InChI=1S/C25H26F6N2O3/c1-35-21(33-10-8-23(9-11-33)15-32-22(34)36-23)14-20(16-4-2-6-18(12-16)24(26,27)28)17-5-3-7-19(13-17)25(29,30)31/h2-7,12-13,20-21H,8-11,14-15H2,1H3,(H,32,34)
• InChIKey: DWLSQQUNFANMDU-UHFFFAOYSA-N
• XLogP: 5.79
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.48
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10279456) is 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COC(CC(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1)N1CCC2(CC1)CNC(=O)O2.

What is the InChIKey of 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is DWLSQQUNFANMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F6N2O3/c1-35-21(33-10-8-23(9-11-33)15-32-22(34)36-23)14-20(16-4-2-6-18(12-16)24(26,27)28)17-5-3-7-19(13-17)25(29,30)31/h2-7,12-13,20-21H,8-11,14-15H2,1H3,(H,32,34).

What are the key properties of 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 516.48 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10279456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).