cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)

C31H64FHfN3Si — CID 150734564

IUPACcyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.C[Si](C)(F)[c-]1cccc1.[Hf+4]
InChIInChI=1S/3C8H18N.C7H10FSi.Hf/c3*1-3-5-7-9-8-6-4-2;1-9(2,8)7-5-3-4-6-7;/h3*3-8H2,1-2H3;3-6H,1-2H3;/q4*-1;+4
InChIKeyJSNZUKJMWRWUSK-UHFFFAOYSA-N
MW704.45 g/mol
LogP10.67
Rot. Bonds19

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

cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+) (PubChem CID 150734564) has the molecular formula C31H64FHfN3Si and a molecular weight of 704.45 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)
PubChem CID150734564
Molecular FormulaC31H64FHfN3Si
Molecular Weight704.45 g/mol
Exact Mass705.43
IUPAC Namecyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)
SMILESCCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.C[Si](C)(F)[c-]1cccc1.[Hf+4]
InChIInChI=1S/3C8H18N.C7H10FSi.Hf/c3*1-3-5-7-9-8-6-4-2;1-9(2,8)7-5-3-4-6-7;/h3*3-8H2,1-2H3;3-6H,1-2H3;/q4*-1;+4
InChIKeyJSNZUKJMWRWUSK-UHFFFAOYSA-N
XLogP10.67
TPSA42.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.45
LogP ≤ 510.67
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'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Related Compounds

cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dimethylazanide);zirconium(4+)
CID 150911713
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(dibutylazanide);hafnium(4+)
CID 151558668
cyclopenta-2,4-dien-1-yl(trimethyl)silane;tris(dipropylazanide);zirconium(4+)
CID 150260726
cesium dibutylazanide
CID 161226545
aluminum;lithium;bis(dibutylazanide);hydride
CID 19967643
bis(dibutylazanide);hafnium(4+);methanidylbenzene
CID 18315045
bis(dibutylazanide);dichlorotitanium
CID 87309711
bis(dibutylazanide);methanidylbenzene;titanium(4+)
CID 18315006
tetrakis(didecylazanide);ruthenium(4+)
CID 172817339
sodium dioctylazanide
CID 87162823
bis(didecylazanide);titanium(4+);dichloride
CID 162188453
bis(dihexylazanide);neodymium;hydrochloride
CID 87163649

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)?
The IUPAC name of cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+) (CID 150734564) is cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+) is CCCC[N-]CCCC.CCCC[N-]CCCC.CCCC[N-]CCCC.C[Si](C)(F)[c-]1cccc1.[Hf+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)?
The InChIKey is JSNZUKJMWRWUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H18N.C7H10FSi.Hf/c3*1-3-5-7-9-8-6-4-2;1-9(2,8)7-5-3-4-6-7;/h3*3-8H2,1-2H3;3-6H,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+)?
cyclopenta-2,4-dien-1-yl-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+) has a molecular weight of 704.45 g/mol, XLogP of 10.67, 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-fluoro-dimethylsilane;tris(dibutylazanide);hafnium(4+) is sourced from PubChem (CID 150734564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).