1,1,1-trifluoropentane-2,4-dione;zirconium

C5H5F3O2Zr — CID 87257091

IUPAC1,1,1-trifluoropentane-2,4-dione;zirconium
SMILESCC(=O)CC(=O)C(F)(F)F.[Zr]
InChIInChI=1S/C5H5F3O2.Zr/c1-3(9)2-4(10)5(6,7)8;/h2H2,1H3;
InChIKeyVGBLZYMKYXNKFS-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.09
Rot. Bonds2

About 1,1,1-trifluoropentane-2,4-dione;zirconium

1,1,1-trifluoropentane-2,4-dione;zirconium (PubChem CID 87257091) has the molecular formula C5H5F3O2Zr and a molecular weight of 245.31 g/mol. Its IUPAC name is 1,1,1-trifluoropentane-2,4-dione;zirconium.

Molecular Properties

Compound Name1,1,1-trifluoropentane-2,4-dione;zirconium
PubChem CID87257091
Molecular FormulaC5H5F3O2Zr
Molecular Weight245.31 g/mol
Exact Mass243.93
IUPAC Name1,1,1-trifluoropentane-2,4-dione;zirconium
SMILESCC(=O)CC(=O)C(F)(F)F.[Zr]
InChIInChI=1S/C5H5F3O2.Zr/c1-3(9)2-4(10)5(6,7)8;/h2H2,1H3;
InChIKeyVGBLZYMKYXNKFS-UHFFFAOYSA-N
XLogP1.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropentane-2,4-dione;zirconium?
The IUPAC name of 1,1,1-trifluoropentane-2,4-dione;zirconium (CID 87257091) is 1,1,1-trifluoropentane-2,4-dione;zirconium.
What is the SMILES notation for 1,1,1-trifluoropentane-2,4-dione;zirconium?
The canonical SMILES for 1,1,1-trifluoropentane-2,4-dione;zirconium is CC(=O)CC(=O)C(F)(F)F.[Zr].
What is the InChIKey of 1,1,1-trifluoropentane-2,4-dione;zirconium?
The InChIKey is VGBLZYMKYXNKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O2.Zr/c1-3(9)2-4(10)5(6,7)8;/h2H2,1H3;.
What are the key properties of 1,1,1-trifluoropentane-2,4-dione;zirconium?
1,1,1-trifluoropentane-2,4-dione;zirconium has a molecular weight of 245.31 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropentane-2,4-dione;zirconium is sourced from PubChem (CID 87257091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).