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

C19H35F6N3SiZr — CID 151856991

IUPACcyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Zr+4]
InChIInChI=1S/C7H5F6Si.3C4H10N.Zr/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-3-5-4-2;/h1-4,14H;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeySJWZWUJCFGJBTG-UHFFFAOYSA-N
MW538.81 g/mol
LogP6.24
Rot. Bonds7

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

cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+) (PubChem CID 151856991) has the molecular formula C19H35F6N3SiZr and a molecular weight of 538.81 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+)
PubChem CID151856991
Molecular FormulaC19H35F6N3SiZr
Molecular Weight538.81 g/mol
Exact Mass537.16
IUPAC Namecyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+)
SMILESCC[N-]CC.CC[N-]CC.CC[N-]CC.FC(F)(F)[SiH]([c-]1cccc1)C(F)(F)F.[Zr+4]
InChIInChI=1S/C7H5F6Si.3C4H10N.Zr/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-3-5-4-2;/h1-4,14H;3*3-4H2,1-2H3;/q4*-1;+4
InChIKeySJWZWUJCFGJBTG-UHFFFAOYSA-N
XLogP6.24
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.81
LogP ≤ 56.24
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'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+) (CID 151856991) is cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+) is CC[N-]CC.CC[N-]CC.CC[N-]CC.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(diethylazanide);zirconium(4+)?
The InChIKey is SJWZWUJCFGJBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6Si.3C4H10N.Zr/c8-6(9,10)14(7(11,12)13)5-3-1-2-4-5;3*1-3-5-4-2;/h1-4,14H;3*3-4H2,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+)?
cyclopenta-2,4-dien-1-yl-bis(trifluoromethyl)silane;tris(diethylazanide);zirconium(4+) has a molecular weight of 538.81 g/mol, XLogP of 6.24, 7 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(diethylazanide);zirconium(4+) is sourced from PubChem (CID 151856991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).