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

C27H15EuF3N2O4 — CID 177066218

IUPACeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H7F3O4.C12H8N2.Eu/c16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,19H;1-8H;
InChIKeyLMEAOVFJKHZRGW-UHFFFAOYSA-N
MW640.39 g/mol
LogP6.18
Rot. Bonds1

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

europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline (PubChem CID 177066218) has the molecular formula C27H15EuF3N2O4 and a molecular weight of 640.39 g/mol. Its IUPAC name is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline.

Molecular Properties

Compound Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline
PubChem CID177066218
Molecular FormulaC27H15EuF3N2O4
Molecular Weight640.39 g/mol
Exact Mass641.02
IUPAC Nameeuropium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline
SMILESO=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C15H7F3O4.C12H8N2.Eu/c16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,19H;1-8H;
InChIKeyLMEAOVFJKHZRGW-UHFFFAOYSA-N
XLogP6.18
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.39
LogP ≤ 56.18
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)benzo[h]chromen-2-one;1,10-phenanthroline?
The IUPAC name of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline (CID 177066218) is europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline.
What is the SMILES notation for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline?
The canonical SMILES for europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline is O=C(c1c(O)c2ccc3ccccc3c2oc1=O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline?
The InChIKey is LMEAOVFJKHZRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O4.C12H8N2.Eu/c16-15(17,18)13(20)10-11(19)9-6-5-7-3-1-2-4-8(7)12(9)22-14(10)21;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;/h1-6,19H;1-8H;.
What are the key properties of europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline?
europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one;1,10-phenanthroline has a molecular weight of 640.39 g/mol, XLogP of 6.18, 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)benzo[h]chromen-2-one;1,10-phenanthroline is sourced from PubChem (CID 177066218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).