europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone

C22H17EuF3N2O2 — CID 20606815

IUPACeuropium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C10H9F3O2.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;/h1-8H;3-4,14H,1-2H3;
InChIKeyBKANPVDFJOMNOG-UHFFFAOYSA-N
MW550.35 g/mol
LogP5.54
Rot. Bonds1

About europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone

europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone (PubChem CID 20606815) has the molecular formula C22H17EuF3N2O2 and a molecular weight of 550.35 g/mol. Its IUPAC name is europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Nameeuropium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
PubChem CID20606815
Molecular FormulaC22H17EuF3N2O2
Molecular Weight550.35 g/mol
Exact Mass551.05
IUPAC Nameeuropium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone
SMILESCc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Eu].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C10H9F3O2.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;/h1-8H;3-4,14H,1-2H3;
InChIKeyBKANPVDFJOMNOG-UHFFFAOYSA-N
XLogP5.54
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.35
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methyl-N-(quinolin-8-yl)benzamide
CID 43176565
(E)-1-(2-hydroxyphenyl)-3-phenyl-prop-2-en-1-one; 1,10-phenanthroline; ruthenium(2+); hexafluorophosphate
CID 6481871
dysprosium(3+);1,10-phenanthroline;tris((Z)-1,1,1-trifluoro-4-(4-methoxyphenyl)-4-oxobut-2-en-2-olate)
CID 139205035
[3-[(4-Hydroxy-3,5-dimethylphenyl)methyl]indol-1-yl]-quinolin-4-ylmethanone
CID 172441161
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;europium;1,10-phenanthroline
CID 20606756
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606762
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606763
Europium;1,10-phenanthroline;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606778
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxynaphthalen-2-yl)ethanone
CID 20606785
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606786
4,7-Diphenyl-1,10-phenanthroline;europium;2,2,2-trifluoro-1-(1-hydroxy-3,4-dihydronaphthalen-2-yl)ethanone
CID 20606787
1-(3,5-Difluoro-2-hydroxyphenyl)-2,2,2-trifluoroethanone;4,7-diphenyl-1,10-phenanthroline;europium
CID 20606788

Frequently Asked Questions

What is the IUPAC name of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone (CID 20606815) is europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone is Cc1cc(C)c(O)c(C(=O)C(F)(F)F)c1.[Eu].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
The InChIKey is BKANPVDFJOMNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2.C10H9F3O2.Eu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-5-3-6(2)8(14)7(4-5)9(15)10(11,12)13;/h1-8H;3-4,14H,1-2H3;.
What are the key properties of europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone?
europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone has a molecular weight of 550.35 g/mol, XLogP of 5.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for europium;1,10-phenanthroline;2,2,2-trifluoro-1-(2-hydroxy-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 20606815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).