zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)

C28H14F12N4O2Zn — CID 139165161

About zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)

zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate) (PubChem CID 139165161) has the molecular formula C28H14F12N4O2Zn and a molecular weight of 731.81 g/mol. Its IUPAC name is zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate).

Molecular Properties

• Compound Name: zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)
• PubChem CID: 139165161
• Molecular Formula: C28H14F12N4O2Zn
• Molecular Weight: 731.81 g/mol
• Exact Mass: 730.02
• IUPAC Name: zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)
• SMILES: [O-]/C(=C\C(=N\c1cccc2cccnc12)C(F)(F)F)C(F)(F)F.[O-]/C(=C\C(=Nc1cccc2cccnc12)C(F)(F)F)C(F)(F)F.[Zn+2]
• InChI: InChI=1S/2C14H8F6N2O.Zn/c2*15-13(16,17)10(7-11(23)14(18,19)20)22-9-5-1-3-8-4-2-6-21-12(8)9;/h2*1-7,23H;/q;;+2/p-2/b11-7-,22-10?;11-7-,22-10-
• InChIKey: JAFCWDFVOXTUTE-KETWLGJOSA-L
• XLogP: 7.35
• TPSA: 96.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.81
LogP ≤ 5	7.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)?

The IUPAC name of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate) (CID 139165161) is zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate).

What is the SMILES notation for zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)?

The canonical SMILES for zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate) is [O-]/C(=C\C(=N\c1cccc2cccnc12)C(F)(F)F)C(F)(F)F.[O-]/C(=C\C(=Nc1cccc2cccnc12)C(F)(F)F)C(F)(F)F.[Zn+2].

What is the InChIKey of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)?

The InChIKey is JAFCWDFVOXTUTE-KETWLGJOSA-L. The full InChI is InChI=1S/2C14H8F6N2O.Zn/c2*15-13(16,17)10(7-11(23)14(18,19)20)22-9-5-1-3-8-4-2-6-21-12(8)9;/h2*1-7,23H;/q;;+2/p-2/b11-7-,22-10?;11-7-,22-10-;.

What are the key properties of zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate)?

zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate) has a molecular weight of 731.81 g/mol, XLogP of 7.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for zinc bis((Z)-1,1,1,5,5,5-hexafluoro-4-quinolin-8-yliminopent-2-en-2-olate) is sourced from PubChem (CID 139165161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).