cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)

C11H9F3Zr — CID 18431339

IUPACcyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)
SMILESFC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C6H4F3.C5H5.Zr/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;/h1,3H,2H2;1-3H,4H2;/q2*-1;+2
InChIKeyNJMZKXAIOBHNSV-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.54
Rot. Bonds

About cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)

cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+) (PubChem CID 18431339) has the molecular formula C11H9F3Zr and a molecular weight of 289.41 g/mol. Its IUPAC name is cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)
PubChem CID18431339
Molecular FormulaC11H9F3Zr
Molecular Weight289.41 g/mol
Exact Mass287.97
IUPAC Namecyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)
SMILESFC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[Zr+2]
InChIInChI=1S/C6H4F3.C5H5.Zr/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;/h1,3H,2H2;1-3H,4H2;/q2*-1;+2
InChIKeyNJMZKXAIOBHNSV-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)?
The IUPAC name of cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+) (CID 18431339) is cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+).
What is the SMILES notation for cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)?
The canonical SMILES for cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+) is FC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[Zr+2].
What is the InChIKey of cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)?
The InChIKey is NJMZKXAIOBHNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3.C5H5.Zr/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;/h1,3H,2H2;1-3H,4H2;/q2*-1;+2.
What are the key properties of cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+)?
cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+) has a molecular weight of 289.41 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(2+) is sourced from PubChem (CID 18431339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).