cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)

C32H58F9GeHfN3 — CID 151558668

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf+4]
InChIInChI=1S/C8H4F9Ge.3C8H18N.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-5-7-9-8-6-4-2;/h1-4H;3*3-8H2,1-2H3;/q4*-1;+4
InChIKeyQCADPWIKQQNNKK-UHFFFAOYSA-N
MW906.92 g/mol
LogP12.24
Rot. Bonds19

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

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+) (PubChem CID 151558668) has the molecular formula C32H58F9GeHfN3 and a molecular weight of 906.92 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)
PubChem CID151558668
Molecular FormulaC32H58F9GeHfN3
Molecular Weight906.92 g/mol
Exact Mass909.32
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Hf+4]
InChIInChI=1S/C8H4F9Ge.3C8H18N.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-5-7-9-8-6-4-2;/h1-4H;3*3-8H2,1-2H3;/q4*-1;+4
InChIKeyQCADPWIKQQNNKK-UHFFFAOYSA-N
XLogP12.24
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.92
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+) (CID 151558668) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+) is CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.FC(F)(F)[Ge]([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)germane;tris(dibutylazanide);hafnium(4+)?
The InChIKey is QCADPWIKQQNNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3C8H18N.Hf/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-3-5-7-9-8-6-4-2;/h1-4H;3*3-8H2,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+) has a molecular weight of 906.92 g/mol, XLogP of 12.24, 19 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)germane;tris(dibutylazanide);hafnium(4+) is sourced from PubChem (CID 151558668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).