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

C11H16F9GeO3Zr- — CID 150002651

IUPACcyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium
SMILESCO.CO.CO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr]
InChIInChI=1S/C8H4F9Ge.3CH4O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q-1;;;;
InChIKeyZREWKTGOCHDVTN-UHFFFAOYSA-N
MW531.06 g/mol
LogP2.19
Rot. Bonds1

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

cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium (PubChem CID 150002651) has the molecular formula C11H16F9GeO3Zr- and a molecular weight of 531.06 g/mol. Its IUPAC name is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium.

Molecular Properties

Compound Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium
PubChem CID150002651
Molecular FormulaC11H16F9GeO3Zr-
Molecular Weight531.06 g/mol
Exact Mass530.92
IUPAC Namecyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium
SMILESCO.CO.CO.FC(F)(F)[Ge]([c-]1cccc1)(C(F)(F)F)C(F)(F)F.[Zr]
InChIInChI=1S/C8H4F9Ge.3CH4O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q-1;;;;
InChIKeyZREWKTGOCHDVTN-UHFFFAOYSA-N
XLogP2.19
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.06
LogP ≤ 52.19
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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Frequently Asked Questions

What is the IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium?
The IUPAC name of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium (CID 150002651) is cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium.
What is the SMILES notation for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium?
The canonical SMILES for cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium is CO.CO.CO.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;methanol;zirconium?
The InChIKey is ZREWKTGOCHDVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F9Ge.3CH4O.Zr/c9-6(10,11)18(7(12,13)14,8(15,16)17)5-3-1-2-4-5;3*1-2;/h1-4H;3*2H,1H3;/q-1;;;;.
What are the key properties of cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium?
cyclopenta-2,4-dien-1-yl-tris(trifluoromethyl)germane;methanol;zirconium has a molecular weight of 531.06 g/mol, XLogP of 2.19, 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-tris(trifluoromethyl)germane;methanol;zirconium is sourced from PubChem (CID 150002651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).