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

C12H8F6Zr — CID 18431329

IUPACbis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[Zr+2]
InChIInChI=1S/2C6H4F3.Zr/c2*7-6(8,9)5-3-1-2-4-5;/h2*1,3H,2H2;/q2*-1;+2
InChIKeyGUQPIIOENMZVGO-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.47
Rot. Bonds

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

bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+) (PubChem CID 18431329) has the molecular formula C12H8F6Zr and a molecular weight of 357.41 g/mol. Its IUPAC name is bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+).

Molecular Properties

Compound Namebis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)
PubChem CID18431329
Molecular FormulaC12H8F6Zr
Molecular Weight357.41 g/mol
Exact Mass355.96
IUPAC Namebis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[Zr+2]
InChIInChI=1S/2C6H4F3.Zr/c2*7-6(8,9)5-3-1-2-4-5;/h2*1,3H,2H2;/q2*-1;+2
InChIKeyGUQPIIOENMZVGO-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)?
The IUPAC name of bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+) (CID 18431329) is bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+).
What is the SMILES notation for bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)?
The canonical SMILES for bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+) is FC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[Zr+2].
What is the InChIKey of bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)?
The InChIKey is GUQPIIOENMZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F3.Zr/c2*7-6(8,9)5-3-1-2-4-5;/h2*1,3H,2H2;/q2*-1;+2.
What are the key properties of bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+)?
bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+) has a molecular weight of 357.41 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(2+) is sourced from PubChem (CID 18431329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).