Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium

C₁₅H₂₅F₉O₃P+ — CID 132572424

About Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium

Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium (PubChem CID 132572424) has the molecular formula C₁₅H₂₅F₉O₃P+ and a molecular weight of 455.32 g/mol. Its IUPAC name is tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium.

Molecular Properties

• Compound Name: Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
• PubChem CID: 132572424
• Molecular Formula: C₁₅H₂₅F₉O₃P+
• Molecular Weight: 455.32 g/mol
• Exact Mass: 455.14
• IUPAC Name: tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
• SMILES: OCCC[P+](CCCO)(CCCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C15H25F9O3P/c16-12(17,13(18,19)14(20,21)15(22,23)24)4-11-28(8-1-5-25,9-2-6-26)10-3-7-27/h25-27H,1-11H2/q+1
• InChIKey: STVGHDODYWEMFC-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 60.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 14
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.32
LogP ≤ 5	4.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?

The IUPAC name of Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium (CID 132572424) is tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium.

What is the SMILES notation for Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?

The canonical SMILES for Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium is OCCC[P+](CCCO)(CCCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?

The InChIKey is STVGHDODYWEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F9O3P/c16-12(17,13(18,19)14(20,21)15(22,23)24)4-11-28(8-1-5-25,9-2-6-26)10-3-7-27/h25-27H,1-11H2/q+1.

What are the key properties of Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?

Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium has a molecular weight of 455.32 g/mol, XLogP of 4.01, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for Tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium is sourced from PubChem (CID 132572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132572424 — identifiers, structure, computed properties (public domain)

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