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

C12H10F6Zr — CID 21226304

IUPAChydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Zr+4]
InChIInChI=1S/2C6H4F3.Zr.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1
InChIKeyYLHIMBZIFGVMJY-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.70
Rot. Bonds

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

hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+) (PubChem CID 21226304) has the molecular formula C12H10F6Zr and a molecular weight of 359.42 g/mol. Its IUPAC name is hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+).

Molecular Properties

Compound Namehydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)
PubChem CID21226304
Molecular FormulaC12H10F6Zr
Molecular Weight359.42 g/mol
Exact Mass357.97
IUPAC Namehydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)
SMILESFC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Zr+4]
InChIInChI=1S/2C6H4F3.Zr.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1
InChIKeyYLHIMBZIFGVMJY-UHFFFAOYSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.70
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 hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)?
The IUPAC name of hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+) (CID 21226304) is hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+).
What is the SMILES notation for hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)?
The canonical SMILES for hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+) is FC(F)(F)C1=[C-]CC=C1.FC(F)(F)C1=[C-]CC=C1.[H-].[H-].[Zr+4].
What is the InChIKey of hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)?
The InChIKey is YLHIMBZIFGVMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H4F3.Zr.2H/c2*7-6(8,9)5-3-1-2-4-5;;;/h2*1,3H,2H2;;;/q2*-1;+4;2*-1.
What are the key properties of hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+)?
hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+) has a molecular weight of 359.42 g/mol, XLogP of 4.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;bis(2-(trifluoromethyl)cyclopenta-1,3-diene);zirconium(4+) is sourced from PubChem (CID 21226304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).