europium;1,1,1-trifluoroheptane-2,4-dione

C7H9EuF3O2 — CID 159104336

IUPACeuropium;1,1,1-trifluoroheptane-2,4-dione
SMILESCCCC(=O)CC(=O)C(F)(F)F.[Eu]
InChIInChI=1S/C7H9F3O2.Eu/c1-2-3-5(11)4-6(12)7(8,9)10;/h2-4H2,1H3;
InChIKeyKDRMZQMWTIBJCQ-UHFFFAOYSA-N
MW334.11 g/mol
LogP1.88
Rot. Bonds4

About europium;1,1,1-trifluoroheptane-2,4-dione

europium;1,1,1-trifluoroheptane-2,4-dione (PubChem CID 159104336) has the molecular formula C7H9EuF3O2 and a molecular weight of 334.11 g/mol. Its IUPAC name is europium;1,1,1-trifluoroheptane-2,4-dione.

Molecular Properties

Compound Nameeuropium;1,1,1-trifluoroheptane-2,4-dione
PubChem CID159104336
Molecular FormulaC7H9EuF3O2
Molecular Weight334.11 g/mol
Exact Mass334.98
IUPAC Nameeuropium;1,1,1-trifluoroheptane-2,4-dione
SMILESCCCC(=O)CC(=O)C(F)(F)F.[Eu]
InChIInChI=1S/C7H9F3O2.Eu/c1-2-3-5(11)4-6(12)7(8,9)10;/h2-4H2,1H3;
InChIKeyKDRMZQMWTIBJCQ-UHFFFAOYSA-N
XLogP1.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.11
LogP ≤ 51.88
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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Related Compounds

1,1,1-trifluoro-2-(fluoromethyl)-2-(trifluoromethyl)octane-3,5-dione
CID 140781618
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935
11,11,11-trifluoroundecane-4,6-dione
CID 175186134
heptane-2,4-dione;palladium(2+)
CID 21417766
calcium;1,1,1,5,5,5-hexafluoropentane-2,4-dione;hydride
CID 173351670
samarium;1,1,1-trifluoropentane-2,4-dione
CID 174544017
1,1,1-trifluoropentane-2,4-dione;zirconium
CID 87257091
bis(heptane-2,4-dione);platinum
CID 158167242
bis(3-oxohexanoic acid);silane
CID 175228530
CID 158271114
CID 158271114
methane;1,1,1-trifluoropentane-2,4-dione
CID 160600044
7,7,7-trifluoro-2-methyl-4,6-dioxoheptanoic acid
CID 19789961

Frequently Asked Questions

What is the IUPAC name of europium;1,1,1-trifluoroheptane-2,4-dione?
The IUPAC name of europium;1,1,1-trifluoroheptane-2,4-dione (CID 159104336) is europium;1,1,1-trifluoroheptane-2,4-dione.
What is the SMILES notation for europium;1,1,1-trifluoroheptane-2,4-dione?
The canonical SMILES for europium;1,1,1-trifluoroheptane-2,4-dione is CCCC(=O)CC(=O)C(F)(F)F.[Eu].
What is the InChIKey of europium;1,1,1-trifluoroheptane-2,4-dione?
The InChIKey is KDRMZQMWTIBJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2.Eu/c1-2-3-5(11)4-6(12)7(8,9)10;/h2-4H2,1H3;.
What are the key properties of europium;1,1,1-trifluoroheptane-2,4-dione?
europium;1,1,1-trifluoroheptane-2,4-dione has a molecular weight of 334.11 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1,1,1-trifluoroheptane-2,4-dione is sourced from PubChem (CID 159104336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).