cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)

C17H28F9N3SiZr — CID 150622462

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)
SMILESCC[N-]C.CC[N-]C.CC[N-]C.FC(F)(F)[Si]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr+4]
InChIInChI=1S/C8H4F9Si.3C3H8N.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-4-2;/h1-4H;3*3H2,1-2H3;/q4*-1;+4
InChIKeyIWEUFCZREZSOKM-UHFFFAOYSA-N
MW564.72 g/mol
LogP6.39
Rot. Bonds4

About cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+) (PubChem CID 150622462) has the molecular formula C17H28F9N3SiZr and a molecular weight of 564.72 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)
PubChem CID150622462
Molecular FormulaC17H28F9N3SiZr
Molecular Weight564.72 g/mol
Exact Mass563.10
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)
SMILESCC[N-]C.CC[N-]C.CC[N-]C.FC(F)(F)[Si]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr+4]
InChIInChI=1S/C8H4F9Si.3C3H8N.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-4-2;/h1-4H;3*3H2,1-2H3;/q4*-1;+4
InChIKeyIWEUFCZREZSOKM-UHFFFAOYSA-N
XLogP6.39
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.72
LogP ≤ 56.39
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-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+) (CID 150622462) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+) is CC[N-]C.CC[N-]C.CC[N-]C.FC(F)(F)[Si]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)?
The InChIKey is IWEUFCZREZSOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Si.3C3H8N.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-4-2;/h1-4H;3*3H2,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+)?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+) has a molecular weight of 564.72 g/mol, XLogP of 6.39, 4 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-tris(trifluoromethyl)silane;ethyl(methyl)azanide;zirconium(4+) is sourced from PubChem (CID 150622462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).