europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline

C23H13EuF3N2O4 — CID 177066262

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccccc2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C11H5F3O4.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-11(13,14)9(16)7-8(15)5-3-1-2-4-6(5)18-10(7)17;/h1-8H;1-4,15H;
InChIKeySLQHPKLYIQRUKQ-UHFFFAOYSA-N
MW590.33 g/mol
LogP5.03
Rot. Bonds1

About europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline

europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline (PubChem CID 177066262) has the molecular formula C23H13EuF3N2O4 and a molecular weight of 590.33 g/mol. Its IUPAC name is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
PubChem CID177066262
Molecular FormulaC23H13EuF3N2O4
Molecular Weight590.33 g/mol
Exact Mass591.00
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccccc2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C11H5F3O4.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-11(13,14)9(16)7-8(15)5-3-1-2-4-6(5)18-10(7)17;/h1-8H;1-4,15H;
InChIKeySLQHPKLYIQRUKQ-UHFFFAOYSA-N
XLogP5.03
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.33
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
The IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline (CID 177066262) is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline.
What is the SMILES notation for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
The canonical SMILES for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline is O=C(c1c(O)c2ccccc2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
The InChIKey is SLQHPKLYIQRUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C11H5F3O4.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;12-11(13,14)9(16)7-8(15)5-3-1-2-4-6(5)18-10(7)17;/h1-8H;1-4,15H;.
What are the key properties of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline?
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline has a molecular weight of 590.33 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;1,10-phenanthroline is sourced from PubChem (CID 177066262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).