2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione

C23H20F6N2O3 — CID 10128095

About 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione

2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione (PubChem CID 10128095) has the molecular formula C23H20F6N2O3 and a molecular weight of 486.41 g/mol. Its IUPAC name is 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione.

Molecular Properties

• Compound Name: 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
• PubChem CID: 10128095
• Molecular Formula: C23H20F6N2O3
• Molecular Weight: 486.41 g/mol
• Exact Mass: 486.14
• IUPAC Name: 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione
• SMILES: C[C@@H](OCC1(c2ccccc2)CC2(C1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C23H20F6N2O3/c1-13(14-7-16(22(24,25)26)9-17(8-14)23(27,28)29)34-12-20(15-5-3-2-4-6-15)10-21(11-20)18(32)30-19(33)31-21/h2-9,13H,10-12H2,1H3,(H2,30,31,32,33)/t13-,20?,21?/m1/s1
• InChIKey: YFJSIPFLGBXTQD-ZJDGCUJOSA-N
• XLogP: 5.11
• TPSA: 67.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.41
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione?

The IUPAC name of 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione (CID 10128095) is 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione.

What is the SMILES notation for 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione?

The canonical SMILES for 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione is C[C@@H](OCC1(c2ccccc2)CC2(C1)NC(=O)NC2=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione?

The InChIKey is YFJSIPFLGBXTQD-ZJDGCUJOSA-N. The full InChI is InChI=1S/C23H20F6N2O3/c1-13(14-7-16(22(24,25)26)9-17(8-14)23(27,28)29)34-12-20(15-5-3-2-4-6-15)10-21(11-20)18(32)30-19(33)31-21/h2-9,13H,10-12H2,1H3,(H2,30,31,32,33)/t13-,20?,21?/m1/s1.

What are the key properties of 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione?

2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione has a molecular weight of 486.41 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 10128095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).