cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium

C14H28F3GeO3Zr- — CID 150571093

IUPACcyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium
SMILESCCCO.CCCO.CCCO.F[Ge](F)(F)[c-]1cccc1.[Zr]
InChIInChI=1S/C5H4F3Ge.3C3H8O.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2-3-4;/h1-4H;3*4H,2-3H2,1H3;/q-1;;;;
InChIKeyBREULBLMCKDFKN-UHFFFAOYSA-N
MW465.20 g/mol
LogP2.62
Rot. Bonds4

About cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium

cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium (PubChem CID 150571093) has the molecular formula C14H28F3GeO3Zr- and a molecular weight of 465.20 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium
PubChem CID150571093
Molecular FormulaC14H28F3GeO3Zr-
Molecular Weight465.20 g/mol
Exact Mass465.03
IUPAC Namecyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium
SMILESCCCO.CCCO.CCCO.F[Ge](F)(F)[c-]1cccc1.[Zr]
InChIInChI=1S/C5H4F3Ge.3C3H8O.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2-3-4;/h1-4H;3*4H,2-3H2,1H3;/q-1;;;;
InChIKeyBREULBLMCKDFKN-UHFFFAOYSA-N
XLogP2.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.20
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium?
The IUPAC name of cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium (CID 150571093) is cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium is CCCO.CCCO.CCCO.F[Ge](F)(F)[c-]1cccc1.[Zr].
What is the InChIKey of cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium?
The InChIKey is BREULBLMCKDFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3Ge.3C3H8O.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2-3-4;/h1-4H;3*4H,2-3H2,1H3;/q-1;;;;.
What are the key properties of cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium?
cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium has a molecular weight of 465.20 g/mol, XLogP of 2.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-2,4-dien-1-yl(trifluoro)germane;tris(propan-1-ol);zirconium is sourced from PubChem (CID 150571093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).