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

C8H16F3N3SiZr — CID 152721764

IUPACcyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)
SMILESC[NH-].C[NH-].C[NH-].F[Si](F)(F)[c-]1cccc1.[Zr+4]
InChIInChI=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
InChIKeyZVTWQJAOKAXPQW-UHFFFAOYSA-N
MW330.54 g/mol
LogP3.46
Rot. Bonds1

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 Namecyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)
PubChem CID152721764
Molecular FormulaC8H16F3N3SiZr
Molecular Weight330.54 g/mol
Exact Mass329.01
IUPAC Namecyclopenta-2,4-dien-1-yl(trifluoro)silane;methylazanide;zirconium(4+)
SMILESC[NH-].C[NH-].C[NH-].F[Si](F)(F)[c-]1cccc1.[Zr+4]
InChIInChI=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
InChIKeyZVTWQJAOKAXPQW-UHFFFAOYSA-N
XLogP3.46
TPSA71.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.54
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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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).