cyclopenta-1,3-diene;zirconium;trihydrofluoride

C5H8F3Zr- — CID 173031456

IUPACcyclopenta-1,3-diene;zirconium;trihydrofluoride
SMILESF.F.F.[C-]1=CC=CC1.[Zr]
InChIInChI=1S/C5H5.3FH.Zr/c1-2-4-5-3-1;;;;/h1-3H,4H2;3*1H;/q-1;;;;
InChIKeyDZRPDWIWAHOEEJ-UHFFFAOYSA-N
MW216.34 g/mol
LogP1.76
Rot. Bonds

About cyclopenta-1,3-diene;zirconium;trihydrofluoride

cyclopenta-1,3-diene;zirconium;trihydrofluoride (PubChem CID 173031456) has the molecular formula C5H8F3Zr- and a molecular weight of 216.34 g/mol. Its IUPAC name is cyclopenta-1,3-diene;zirconium;trihydrofluoride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;zirconium;trihydrofluoride
PubChem CID173031456
Molecular FormulaC5H8F3Zr-
Molecular Weight216.34 g/mol
Exact Mass214.96
IUPAC Namecyclopenta-1,3-diene;zirconium;trihydrofluoride
SMILESF.F.F.[C-]1=CC=CC1.[Zr]
InChIInChI=1S/C5H5.3FH.Zr/c1-2-4-5-3-1;;;;/h1-3H,4H2;3*1H;/q-1;;;;
InChIKeyDZRPDWIWAHOEEJ-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 51.76
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

cyclopenta-1,3-diene;hydride;zirconium
CID 173316209
cyclopenta-1,3-diene;ethene;zirconium
CID 173040217
azanide;carbanide;cyclopenta-1,3-diene;zirconium
CID 175410282
lithium;cyclopenta-1,3-diene;hydride;zirconium
CID 175302928
bis(cyclopenta-1,3-diene);vanadium(2+)
CID 73455747
cyclopenta-1,3-diene;iridium(3+)
CID 19920890
cyclopenta-1,3-diene;zirconium(4+)
CID 22421333
cesium cyclopenta-1,3-diene
CID 18362255
tris(cyclopenta-1,3-diene);gold(3+)
CID 174872260
strontium bis(cyclopenta-1,3-diene)
CID 14513562
CID 173301024
CID 173301024
bis(cyclopenta-1,3-diene);rhodium(2+);chloride
CID 18934400

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;zirconium;trihydrofluoride?
The IUPAC name of cyclopenta-1,3-diene;zirconium;trihydrofluoride (CID 173031456) is cyclopenta-1,3-diene;zirconium;trihydrofluoride.
What is the SMILES notation for cyclopenta-1,3-diene;zirconium;trihydrofluoride?
The canonical SMILES for cyclopenta-1,3-diene;zirconium;trihydrofluoride is F.F.F.[C-]1=CC=CC1.[Zr].
What is the InChIKey of cyclopenta-1,3-diene;zirconium;trihydrofluoride?
The InChIKey is DZRPDWIWAHOEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5.3FH.Zr/c1-2-4-5-3-1;;;;/h1-3H,4H2;3*1H;/q-1;;;;.
What are the key properties of cyclopenta-1,3-diene;zirconium;trihydrofluoride?
cyclopenta-1,3-diene;zirconium;trihydrofluoride has a molecular weight of 216.34 g/mol, XLogP of 1.76, 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;zirconium;trihydrofluoride is sourced from PubChem (CID 173031456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).