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

C14H22F9HfN3Si — CID 150956613

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.FC(F)(F)[Si]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf+4]
InChIInChI=1S/C8H4F9Si.3C2H6N.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-2;/h1-4H;3*1-2H3;/q4*-1;+4
InChIKeyLLFIURMSGNNWKT-UHFFFAOYSA-N
MW609.91 g/mol
LogP5.22
Rot. Bonds1

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

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+) (PubChem CID 150956613) has the molecular formula C14H22F9HfN3Si and a molecular weight of 609.91 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)
PubChem CID150956613
Molecular FormulaC14H22F9HfN3Si
Molecular Weight609.91 g/mol
Exact Mass611.09
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)
SMILESC[N-]C.C[N-]C.C[N-]C.FC(F)(F)[Si]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf+4]
InChIInChI=1S/C8H4F9Si.3C2H6N.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-2;/h1-4H;3*1-2H3;/q4*-1;+4
InChIKeyLLFIURMSGNNWKT-UHFFFAOYSA-N
XLogP5.22
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.91
LogP ≤ 55.22
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-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(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-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+) (CID 150956613) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+) is C[N-]C.C[N-]C.C[N-]C.FC(F)(F)[Si]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)?
The InChIKey is LLFIURMSGNNWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Si.3C2H6N.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-2;/h1-4H;3*1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+)?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+) has a molecular weight of 609.91 g/mol, XLogP of 5.22, 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-tris(trifluoromethyl)silane;tris(dimethylazanide);hafnium(4+) is sourced from PubChem (CID 150956613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).