1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride

C9H15F2Zr- — CID 174493495

IUPAC1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
SMILESCC1=[C-]C(C)C(C)=C1C.F.F.[Zr]
InChIInChI=1S/C9H13.2FH.Zr/c1-6-5-7(2)9(4)8(6)3;;;/h6H,1-4H3;2*1H;/q-1;;;
InChIKeyLENSPHMYWPMERN-UHFFFAOYSA-N
MW252.44 g/mol
LogP3.02
Rot. Bonds

About 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride

1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride (PubChem CID 174493495) has the molecular formula C9H15F2Zr- and a molecular weight of 252.44 g/mol. Its IUPAC name is 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride.

Molecular Properties

Compound Name1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
PubChem CID174493495
Molecular FormulaC9H15F2Zr-
Molecular Weight252.44 g/mol
Exact Mass251.02
IUPAC Name1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride
SMILESCC1=[C-]C(C)C(C)=C1C.F.F.[Zr]
InChIInChI=1S/C9H13.2FH.Zr/c1-6-5-7(2)9(4)8(6)3;;;/h6H,1-4H3;2*1H;/q-1;;;
InChIKeyLENSPHMYWPMERN-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 53.02
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

bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);zirconium(2+)
CID 18431322
neodymium(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 74765419
cobalt(3+);tris(1,2,3,5-tetramethylcyclopenta-1,3-diene)
CID 173069398
1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(3+);dichloride
CID 87514830
CID 173031450
CID 173031450
ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
CID 18925878
methylidenehafnium(2+);bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dichloride
CID 19351721
carbanide;2-methylpropane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+)
CID 175026687
N-methanidyl-N-methylmethanamine;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+)
CID 87721595
CID 173146534
CID 173146534
(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
CID 173178949
chloro(silylidene)titanium;ethane;bis(1,2,3,5-tetramethylcyclopenta-1,3-diene);dihydrochloride
CID 173239267

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride?
The IUPAC name of 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride (CID 174493495) is 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride.
What is the SMILES notation for 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride?
The canonical SMILES for 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride is CC1=[C-]C(C)C(C)=C1C.F.F.[Zr].
What is the InChIKey of 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride?
The InChIKey is LENSPHMYWPMERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.2FH.Zr/c1-6-5-7(2)9(4)8(6)3;;;/h6H,1-4H3;2*1H;/q-1;;;.
What are the key properties of 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride?
1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride has a molecular weight of 252.44 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5-tetramethylcyclopenta-1,3-diene;zirconium;dihydrofluoride is sourced from PubChem (CID 174493495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).