bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium

C19H26F12O4PPd+ — CID 162495192

About bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium

bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium (PubChem CID 162495192) has the molecular formula C19H26F12O4PPd+ and a molecular weight of 683.78 g/mol. Its IUPAC name is bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium.

Molecular Properties

• Compound Name: bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium
• PubChem CID: 162495192
• Molecular Formula: C19H26F12O4PPd+
• Molecular Weight: 683.78 g/mol
• Exact Mass: 683.04
• IUPAC Name: bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium
• SMILES: CC(C)[PH+](C(C)C)C(C)C.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pd]
• InChI: InChI=1S/C9H21P.2C5H2F6O2.Pd/c1-7(2)10(8(3)4)9(5)6;2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h7-9H,1-6H3;2*1,12H;/p+1/b;2*2-1-
• InChIKey: YRLSVGRBWLXIEF-VIBDZMCESA-O
• XLogP: 7.67
• TPSA: 74.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	683.78
LogP ≤ 5	7.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium?

The IUPAC name of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium (CID 162495192) is bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium.

What is the SMILES notation for bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium?

The canonical SMILES for bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium is CC(C)[PH+](C(C)C)C(C)C.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.O=C(/C=C(\O)C(F)(F)F)C(F)(F)F.[Pd].

What is the InChIKey of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium?

The InChIKey is YRLSVGRBWLXIEF-VIBDZMCESA-O. The full InChI is InChI=1S/C9H21P.2C5H2F6O2.Pd/c1-7(2)10(8(3)4)9(5)6;2*6-4(7,8)2(12)1-3(13)5(9,10)11;/h7-9H,1-6H3;2*1,12H;/p+1/b;2*2-1-;.

What are the key properties of bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium?

bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium has a molecular weight of 683.78 g/mol, XLogP of 7.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis((Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one);palladium;tri(propan-2-yl)phosphanium is sourced from PubChem (CID 162495192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).