cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)

C11H11F3Zr — CID 22023631

IUPACcyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)
SMILESFC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Zr+4]
InChIInChI=1S/C6H4F3.C5H5.Zr.2H/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;;;/h1,3H,2H2;1-3H,4H2;;;/q2*-1;+4;2*-1
InChIKeySDYDUQIMVCHHEP-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.77
Rot. Bonds

About cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)

cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+) (PubChem CID 22023631) has the molecular formula C11H11F3Zr and a molecular weight of 291.43 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+).

Molecular Properties

Compound Namecyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)
PubChem CID22023631
Molecular FormulaC11H11F3Zr
Molecular Weight291.43 g/mol
Exact Mass289.99
IUPAC Namecyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)
SMILESFC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Zr+4]
InChIInChI=1S/C6H4F3.C5H5.Zr.2H/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;;;/h1,3H,2H2;1-3H,4H2;;;/q2*-1;+4;2*-1
InChIKeySDYDUQIMVCHHEP-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.77
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 cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)?
The IUPAC name of cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+) (CID 22023631) is cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+).
What is the SMILES notation for cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)?
The canonical SMILES for cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+) is FC(F)(F)C1=[C-]CC=C1.[C-]1=CC=CC1.[H-].[H-].[Zr+4].
What is the InChIKey of cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)?
The InChIKey is SDYDUQIMVCHHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3.C5H5.Zr.2H/c7-6(8,9)5-3-1-2-4-5;1-2-4-5-3-1;;;/h1,3H,2H2;1-3H,4H2;;;/q2*-1;+4;2*-1.
What are the key properties of cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+)?
cyclopenta-1,3-diene;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+) has a molecular weight of 291.43 g/mol, XLogP of 3.77, 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;hydride;2-(trifluoromethyl)cyclopenta-1,3-diene;zirconium(4+) is sourced from PubChem (CID 22023631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).