(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum

C16H9F6N2O2Pt- — CID 58517613

About (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum

(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum (PubChem CID 58517613) has the molecular formula C16H9F6N2O2Pt- and a molecular weight of 570.33 g/mol. Its IUPAC name is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum.

Molecular Properties

• Compound Name: (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
• PubChem CID: 58517613
• Molecular Formula: C16H9F6N2O2Pt-
• Molecular Weight: 570.33 g/mol
• Exact Mass: 570.02
• IUPAC Name: (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum
• SMILES: O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pt].[c-]1cccc2ccn3ccnc3c12
• InChI: InChI=1S/C11H7N2.C5H2F6O2.Pt/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-3,5-8H;1,12H;/q-1;;/b;2-1-
• InChIKey: GYXAISOQVQERRO-FJOGWHKWSA-N
• XLogP: 4.41
• TPSA: 54.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.33
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

The IUPAC name of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum (CID 58517613) is (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum.

What is the SMILES notation for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

The canonical SMILES for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum is O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pt].[c-]1cccc2ccn3ccnc3c12.

What is the InChIKey of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

The InChIKey is GYXAISOQVQERRO-FJOGWHKWSA-N. The full InChI is InChI=1S/C11H7N2.C5H2F6O2.Pt/c1-2-4-10-9(3-1)5-7-13-8-6-12-11(10)13;6-4(7,8)2(12)1-3(13)5(9,10)11;/h1-3,5-8H;1,12H;/q-1;;/b;2-1-;.

What are the key properties of (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum?

(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum has a molecular weight of 570.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;10H-imidazo[2,1-a]isoquinolin-10-ide;platinum is sourced from PubChem (CID 58517613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).