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

C10H10F2Zr — CID 23354655

IUPACbis(cyclopenta-1,3-diene);zirconium(4+);difluoride
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C5H5.2FH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyVLBYHMBRYFRQPG-UHFFFAOYSA-L
MW259.41 g/mol
LogP-3.38
Rot. Bonds

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

bis(cyclopenta-1,3-diene);zirconium(4+);difluoride (PubChem CID 23354655) has the molecular formula C10H10F2Zr and a molecular weight of 259.41 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);zirconium(4+);difluoride.

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);zirconium(4+);difluoride
PubChem CID23354655
Molecular FormulaC10H10F2Zr
Molecular Weight259.41 g/mol
Exact Mass257.98
IUPAC Namebis(cyclopenta-1,3-diene);zirconium(4+);difluoride
SMILES[C-]1=CC=CC1.[C-]1=CC=CC1.[F-].[F-].[Zr+4]
InChIInChI=1S/2C5H5.2FH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyVLBYHMBRYFRQPG-UHFFFAOYSA-L
XLogP-3.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 5-3.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(cyclopenta-1,3-diene);zirconium(4+);difluoride with MolForge

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

Launch Full Analysis

Related Compounds

cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cyclopenta-1,3-diene;zirconium(4+);tetrachloride
CID 173166771
carbanide;cyclopenta-1,3-diene;hydride;zirconium(4+)
CID 174257873
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
bis(cyclopenta-1,3-diene);ethene;hydride;zirconium(4+)
CID 159943507
carbanide;cyclopenta-1,3-diene;osmium(2+)
CID 140608310
cyclopenta-1,3-diene;zirconium;trihydrofluoride
CID 173031456
tris(cyclopenta-1,3-diene);tris(zirconium(2+));trichloride
CID 22239884

Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);zirconium(4+);difluoride?
The IUPAC name of bis(cyclopenta-1,3-diene);zirconium(4+);difluoride (CID 23354655) is bis(cyclopenta-1,3-diene);zirconium(4+);difluoride.
What is the SMILES notation for bis(cyclopenta-1,3-diene);zirconium(4+);difluoride?
The canonical SMILES for bis(cyclopenta-1,3-diene);zirconium(4+);difluoride is [C-]1=CC=CC1.[C-]1=CC=CC1.[F-].[F-].[Zr+4].
What is the InChIKey of bis(cyclopenta-1,3-diene);zirconium(4+);difluoride?
The InChIKey is VLBYHMBRYFRQPG-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5.2FH.Zr/c2*1-2-4-5-3-1;;;/h2*1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(cyclopenta-1,3-diene);zirconium(4+);difluoride?
bis(cyclopenta-1,3-diene);zirconium(4+);difluoride has a molecular weight of 259.41 g/mol, XLogP of -3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);zirconium(4+);difluoride is sourced from PubChem (CID 23354655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).