cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium

C11H22F3GeO3Zr- — CID 151276224

IUPACcyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium
SMILESCCO.CCO.CCO.F[Ge](F)(F)[c-]1cccc1.[Zr]
InChIInChI=1S/C5H4F3Ge.3C2H6O.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2-3;/h1-4H;3*3H,2H2,1H3;/q-1;;;;
InChIKeyCOOYCHVVTYSBRG-UHFFFAOYSA-N
MW423.12 g/mol
LogP1.45
Rot. Bonds1

About cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium

cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium (PubChem CID 151276224) has the molecular formula C11H22F3GeO3Zr- and a molecular weight of 423.12 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium
PubChem CID151276224
Molecular FormulaC11H22F3GeO3Zr-
Molecular Weight423.12 g/mol
Exact Mass422.98
IUPAC Namecyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium
SMILESCCO.CCO.CCO.F[Ge](F)(F)[c-]1cccc1.[Zr]
InChIInChI=1S/C5H4F3Ge.3C2H6O.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2-3;/h1-4H;3*3H,2H2,1H3;/q-1;;;;
InChIKeyCOOYCHVVTYSBRG-UHFFFAOYSA-N
XLogP1.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.12
LogP ≤ 51.45
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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Related Compounds

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ethanol;methane;molecular iodine
CID 158632619
ethanol;methane;molecular iodine
CID 160622890
ethanol;methane;titanium;tetrahydrate
CID 165044950
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CID 158560477
ethanol;palladium
CID 87368677
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CID 25200198

Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium?
The IUPAC name of cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium (CID 151276224) is cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium is CCO.CCO.CCO.F[Ge](F)(F)[c-]1cccc1.[Zr].
What is the InChIKey of cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium?
The InChIKey is COOYCHVVTYSBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3Ge.3C2H6O.Zr/c6-9(7,8)5-3-1-2-4-5;3*1-2-3;/h1-4H;3*3H,2H2,1H3;/q-1;;;;.
What are the key properties of cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium?
cyclopenta-2,4-dien-1-yl(trifluoro)germane;ethanol;zirconium has a molecular weight of 423.12 g/mol, XLogP of 1.45, 1 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;ethanol;zirconium is sourced from PubChem (CID 151276224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).