1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline

C20H11EuF5N2O2 — CID 20606756

About 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline

1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline (PubChem CID 20606756) has the molecular formula C20H11EuF5N2O2 and a molecular weight of 558.27 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline.

Molecular Properties

• Compound Name: 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
• PubChem CID: 20606756
• Molecular Formula: C20H11EuF5N2O2
• Molecular Weight: 558.27 g/mol
• Exact Mass: 559.00
• IUPAC Name: 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
• SMILES: O=C(c1cc(F)cc(F)c1O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/C12H8N2.C8H3F5O2.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13;/h1-8H;1-2,14H
• InChIKey: YUISNYLVMBOKIT-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 63.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.27
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline?

The IUPAC name of 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline (CID 20606756) is 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline.

What is the SMILES notation for 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline?

The canonical SMILES for 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline is O=C(c1cc(F)cc(F)c1O)C(F)(F)F.[Eu].c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline?

The InChIKey is YUISNYLVMBOKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C8H3F5O2.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-3-1-4(6(14)5(10)2-3)7(15)8(11,12)13;/h1-8H;1-2,14H;.

What are the key properties of 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline?

1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline has a molecular weight of 558.27 g/mol, XLogP of 5.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline is sourced from PubChem (CID 20606756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).