bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride

C14H18F2Zr — CID 87203276

IUPACbis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C7H9.2FH.Zr/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQFUWPNXTCWSLFV-UHFFFAOYSA-L
MW315.52 g/mol
LogP-1.82
Rot. Bonds2

About bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride

bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride (PubChem CID 87203276) has the molecular formula C14H18F2Zr and a molecular weight of 315.52 g/mol. Its IUPAC name is bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride.

Molecular Properties

Compound Namebis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
PubChem CID87203276
Molecular FormulaC14H18F2Zr
Molecular Weight315.52 g/mol
Exact Mass314.04
IUPAC Namebis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride
SMILESCCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C7H9.2FH.Zr/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyQFUWPNXTCWSLFV-UHFFFAOYSA-L
XLogP-1.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.52
LogP ≤ 5-1.82
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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Related Compounds

2-ethylcyclopenta-1,3-diene;hafnium
CID 173317623
2-ethylcyclopenta-1,3-diene;zinc
CID 173012592
2-ethylcyclopenta-1,3-diene;iridium
CID 173125355
bis(2-ethylcyclopenta-1,3-diene);ruthenium(2+)
CID 22138507
bis(2-ethylcyclopenta-1,3-diene);hafnium(4+);dichloride
CID 73411812
carbanide;bis(2-ethylcyclopenta-1,3-diene);hafnium(4+)
CID 140501181
2-ethylcyclopenta-1,3-diene;methanone;tungsten
CID 173030270
carbanide;2-ethylcyclopenta-1,3-diene;nitroxyl anion;tungsten
CID 87198937
bis(2-propylcyclopenta-1,3-diene);zirconium(4+);difluoride
CID 86584684
cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;zirconium(2+)
CID 18431344
1,2-dihydropyrrol-2-ide;2-ethylcyclopenta-1,3-diene;ruthenium(2+)
CID 87477496
bis(2-butylcyclopenta-1,3-diene);hafnium(4+);difluoride
CID 22323867

Frequently Asked Questions

What is the IUPAC name of bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride?
The IUPAC name of bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride (CID 87203276) is bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride.
What is the SMILES notation for bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride?
The canonical SMILES for bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride is CCC1=[C-]CC=C1.CCC1=[C-]CC=C1.[F-].[F-].[Zr+4].
What is the InChIKey of bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride?
The InChIKey is QFUWPNXTCWSLFV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H9.2FH.Zr/c2*1-2-7-5-3-4-6-7;;;/h2*3,5H,2,4H2,1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride?
bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride has a molecular weight of 315.52 g/mol, XLogP of -1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethylcyclopenta-1,3-diene);zirconium(4+);difluoride is sourced from PubChem (CID 87203276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).