cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)

C14H28F3HfN3Si — CID 150529677

IUPACcyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)
SMILESCC(C)[NH-].CC(C)[NH-].CC(C)[NH-].F[Si](F)(F)[c-]1cccc1.[Hf+4]
InChIInChI=1S/C5H4F3Si.3C3H8N.Hf/c6-9(7,8)5-3-1-2-4-5;3*1-3(2)4;/h1-4H;3*3-4H,1-2H3;/q4*-1;+4
InChIKeyIDOOOEJIXLBRGW-UHFFFAOYSA-N
MW501.97 g/mol
LogP5.80
Rot. Bonds1

About cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)

cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide) (PubChem CID 150529677) has the molecular formula C14H28F3HfN3Si and a molecular weight of 501.97 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide).

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)
PubChem CID150529677
Molecular FormulaC14H28F3HfN3Si
Molecular Weight501.97 g/mol
Exact Mass503.15
IUPAC Namecyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)
SMILESCC(C)[NH-].CC(C)[NH-].CC(C)[NH-].F[Si](F)(F)[c-]1cccc1.[Hf+4]
InChIInChI=1S/C5H4F3Si.3C3H8N.Hf/c6-9(7,8)5-3-1-2-4-5;3*1-3(2)4;/h1-4H;3*3-4H,1-2H3;/q4*-1;+4
InChIKeyIDOOOEJIXLBRGW-UHFFFAOYSA-N
XLogP5.80
TPSA71.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.97
LogP ≤ 55.80
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)?
The IUPAC name of cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide) (CID 150529677) is cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide).
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide) is CC(C)[NH-].CC(C)[NH-].CC(C)[NH-].F[Si](F)(F)[c-]1cccc1.[Hf+4].
What is the InChIKey of cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)?
The InChIKey is IDOOOEJIXLBRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3Si.3C3H8N.Hf/c6-9(7,8)5-3-1-2-4-5;3*1-3(2)4;/h1-4H;3*3-4H,1-2H3;/q4*-1;+4.
What are the key properties of cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide)?
cyclopenta-2,4-dien-1-yl(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide) has a molecular weight of 501.97 g/mol, XLogP of 5.80, 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(trifluoro)silane;hafnium(4+);tris(propan-2-ylazanide) is sourced from PubChem (CID 150529677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).