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

C17H28F9GeO3Zr- — CID 150170382

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium
SMILESCCCO.CCCO.CCCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr]
InChIInChI=1S/C8H4F9Ge.3C3H8O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2-3-4;/h1-4H;3*4H,2-3H2,1H3;/q-1;;;;
InChIKeyOTZPFVLXMFGDBX-UHFFFAOYSA-N
MW615.22 g/mol
LogP4.53
Rot. Bonds4

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

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium (PubChem CID 150170382) has the molecular formula C17H28F9GeO3Zr- and a molecular weight of 615.22 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium
PubChem CID150170382
Molecular FormulaC17H28F9GeO3Zr-
Molecular Weight615.22 g/mol
Exact Mass615.02
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium
SMILESCCCO.CCCO.CCCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr]
InChIInChI=1S/C8H4F9Ge.3C3H8O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2-3-4;/h1-4H;3*4H,2-3H2,1H3;/q-1;;;;
InChIKeyOTZPFVLXMFGDBX-UHFFFAOYSA-N
XLogP4.53
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500615.22
LogP ≤ 54.53
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-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium (CID 150170382) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium is CCCO.CCCO.CCCO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr].
What is the InChIKey of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium?
The InChIKey is OTZPFVLXMFGDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3C3H8O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)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-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium has a molecular weight of 615.22 g/mol, XLogP of 4.53, 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-tris(trifluoromethyl)germane;tris(propan-1-ol);zirconium is sourced from PubChem (CID 150170382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).