Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)

C₈H₁₆F₃N₃SiZr — CID 152721764

About Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)

Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+) (PubChem CID 152721764) has the molecular formula C₈H₁₆F₃N₃SiZr and a molecular weight of 330.54 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+).

Molecular Properties

• Compound Name: Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)
• PubChem CID: 152721764
• Molecular Formula: C₈H₁₆F₃N₃SiZr
• Molecular Weight: 330.54 g/mol
• Exact Mass: 329.01
• IUPAC Name: cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)
• SMILES: C[NH-].C[NH-].C[NH-].F[Si](F)(F)[c-]1cccc1.[Zr+4]
• InChI: InChI=1S/C5H4F3Si.3CH4N.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q4*-1;+4
• InChIKey: ZVTWQJAOKAXPQW-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 71.40 Ų
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.54
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)?

The IUPAC name of Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+) (CID 152721764) is cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+).

What is the SMILES notation for Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)?

The canonical SMILES for Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+) is C[NH-].C[NH-].C[NH-].F[Si](F)(F)[c-]1cccc1.[Zr+4].

What is the InChIKey of Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)?

The InChIKey is ZVTWQJAOKAXPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3Si.3CH4N.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q4*-1;+4.

What are the key properties of Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)?

Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+) has a molecular weight of 330.54 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for Cyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+) is sourced from PubChem (CID 152721764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152721764 — identifiers, structure, computed properties (public domain)

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