cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide

C21H16F2Zr — CID 87924727

IUPACcyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide
SMILESFc1ccc2[cH-]c3ccc(F)cc3c2c1.[C-]1=CC=CC1.[Zr+2]=C1CC1
InChIInChI=1S/C13H7F2.C5H5.C3H4.Zr/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;1-2-4-5-3-1;1-2-3-1;/h1-7H;1-3H,4H2;1-2H2;/q2*-1;;+2
InChIKeyGMWVEJGDSADHHN-UHFFFAOYSA-N
MW397.58 g/mol
LogP5.80
Rot. Bonds

About cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide

cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide (PubChem CID 87924727) has the molecular formula C21H16F2Zr and a molecular weight of 397.58 g/mol. Its IUPAC name is cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide.

Molecular Properties

Compound Namecyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide
PubChem CID87924727
Molecular FormulaC21H16F2Zr
Molecular Weight397.58 g/mol
Exact Mass396.03
IUPAC Namecyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide
SMILESFc1ccc2[cH-]c3ccc(F)cc3c2c1.[C-]1=CC=CC1.[Zr+2]=C1CC1
InChIInChI=1S/C13H7F2.C5H5.C3H4.Zr/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;1-2-4-5-3-1;1-2-3-1;/h1-7H;1-3H,4H2;1-2H2;/q2*-1;;+2
InChIKeyGMWVEJGDSADHHN-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.58
LogP ≤ 55.80
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;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide?
The IUPAC name of cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide (CID 87924727) is cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide.
What is the SMILES notation for cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide?
The canonical SMILES for cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide is Fc1ccc2[cH-]c3ccc(F)cc3c2c1.[C-]1=CC=CC1.[Zr+2]=C1CC1.
What is the InChIKey of cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide?
The InChIKey is GMWVEJGDSADHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2.C5H5.C3H4.Zr/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)12(8)6-10;1-2-4-5-3-1;1-2-3-1;/h1-7H;1-3H,4H2;1-2H2;/q2*-1;;+2.
What are the key properties of cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide?
cyclopenta-1,3-diene;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide has a molecular weight of 397.58 g/mol, XLogP of 5.80, 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;cyclopropylidenezirconium(2+);3,6-difluoro-9H-fluoren-9-ide is sourced from PubChem (CID 87924727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).