europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)

C40H28EuF12O8 — CID 159123856

IUPACeuropium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
SMILESO=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.[Eu]
InChIInChI=1S/4C10H7F3O2.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-5H,6H2;
InChIKeyKGAODVCJFFAFHW-UHFFFAOYSA-N
MW1016.60 g/mol
LogP9.56
Rot. Bonds12

About europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)

europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) (PubChem CID 159123856) has the molecular formula C40H28EuF12O8 and a molecular weight of 1016.60 g/mol. Its IUPAC name is europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione).

Molecular Properties

Compound Nameeuropium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
PubChem CID159123856
Molecular FormulaC40H28EuF12O8
Molecular Weight1016.60 g/mol
Exact Mass1017.08
IUPAC Nameeuropium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)
SMILESO=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.[Eu]
InChIInChI=1S/4C10H7F3O2.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-5H,6H2;
InChIKeyKGAODVCJFFAFHW-UHFFFAOYSA-N
XLogP9.56
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001016.60
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylpropane-1,3-dione;dihydrofluoride
CID 159485423
bis(1,3-diphenylpropane-1,3-dione);zinc
CID 67929938
4,4,4-trifluoro-1-pyridin-3-ylbutane-1,3-dione;hydrochloride
CID 163330137
1,1,1-trifluoro-4-methylimino-4-phenylbutan-2-one
CID 7392503
1,1,1-trifluoro-4-phenyl-4-[2-[(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)amino]ethylimino]butan-2-one
CID 123893642
4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
CID 11065204
1-(3-chloro-4-fluorophenyl)-4,4,4-trifluorobutane-1,3-dione
CID 12921697
1-[4-(4-ethylphenyl)phenyl]-4,4,4-trifluorobutane-1,3-dione
CID 20503065
CID 175394574
CID 175394574
3-oxo-3-phenylpropanoic acid;silver
CID 87120895
4,4-difluoro-4-morpholin-4-yl-1-phenylbutane-1,3-dione
CID 67647751
3-[4-(4,4,4-trifluoro-3-oxobutanoyl)phenyl]prop-2-enal
CID 169459942

Frequently Asked Questions

What is the IUPAC name of europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
The IUPAC name of europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) (CID 159123856) is europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione).
What is the SMILES notation for europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
The canonical SMILES for europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) is O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.O=C(CC(=O)C(F)(F)F)c1ccccc1.[Eu].
What is the InChIKey of europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
The InChIKey is KGAODVCJFFAFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H7F3O2.Eu/c4*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h4*1-5H,6H2;.
What are the key properties of europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione)?
europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) has a molecular weight of 1016.60 g/mol, XLogP of 9.56, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for europium;tetrakis(4,4,4-trifluoro-1-phenylbutane-1,3-dione) is sourced from PubChem (CID 159123856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).