cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)

C13H23F6N3SiZr — CID 151958472

IUPACcyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Zr+4]
InChIInChI=1S/C7H5F6Si.3C2H6N.Zr/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-3-2;/h1-4,14H;3*1-2H3;/q4*-1;+4
InChIKeyTYDGFULSCOUGME-UHFFFAOYSA-N
MW454.65 g/mol
LogP3.90
Rot. Bonds1

About cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)

cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+) (PubChem CID 151958472) has the molecular formula C13H23F6N3SiZr and a molecular weight of 454.65 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)
PubChem CID151958472
Molecular FormulaC13H23F6N3SiZr
Molecular Weight454.65 g/mol
Exact Mass453.06
IUPAC Namecyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Zr+4]
InChIInChI=1S/C7H5F6Si.3C2H6N.Zr/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-3-2;/h1-4,14H;3*1-2H3;/q4*-1;+4
InChIKeyTYDGFULSCOUGME-UHFFFAOYSA-N
XLogP3.90
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.65
LogP ≤ 53.90
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'}

Analyze cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+) (CID 151958472) is cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+) is C[N-]C.C[N-]C.C[N-]C.FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Zr+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)?
The InChIKey is TYDGFULSCOUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6Si.3C2H6N.Zr/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-3-2;/h1-4,14H;3*1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+)?
cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+) has a molecular weight of 454.65 g/mol, XLogP of 3.90, 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-bis(trifluoromethyl)silane;tris(dimethylazanide);zirconium(4+) is sourced from PubChem (CID 151958472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).