dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

C22H15DyF3N2O2 — CID 59381361

IUPACdysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
SMILESO=C(/C=C(\O)c1ccccc1)C(F)(F)F.[Dy].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C10H7F3O2.Dy/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h1-8H;1-6,14H;/b;8-6-;
InChIKeyJHDCYNWUVFLDGZ-QBUDOIDPSA-N
MW558.87 g/mol
LogP5.50
Rot. Bonds2

About dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one

dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (PubChem CID 59381361) has the molecular formula C22H15DyF3N2O2 and a molecular weight of 558.87 g/mol. Its IUPAC name is dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one.

Molecular Properties

Compound Namedysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
PubChem CID59381361
Molecular FormulaC22H15DyF3N2O2
Molecular Weight558.87 g/mol
Exact Mass560.04
IUPAC Namedysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
SMILESO=C(/C=C(\O)c1ccccc1)C(F)(F)F.[Dy].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C10H7F3O2.Dy/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h1-8H;1-6,14H;/b;8-6-;
InChIKeyJHDCYNWUVFLDGZ-QBUDOIDPSA-N
XLogP5.50
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.87
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 10298197
disilver;bis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);bis(1,10-phenanthroline)
CID 139171199
tris-(1,1,1,2,2,3,3-heptafluoro-7,7-dimethyl-4,6-octadionato-O,O')-(1,10-phenanthroline-N,N')-Dysprosium(III)
CID 139201596
cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)
CID 139240245
1,1-Bis(4-fluorophenyl)-4-(4-quinolin-8-ylpiperazin-1-yl)butan-1-ol
CID 15541846
cerium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline
CID 20606754
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CID 20606756
europium;(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline
CID 20606758
(Z)-1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;1,10-phenanthroline;terbium
CID 20606759
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-hydroxy-3,4-dihydroanthracen-2-yl)ethanone
CID 20606786

Frequently Asked Questions

What is the IUPAC name of dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The IUPAC name of dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one (CID 59381361) is dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one.
What is the SMILES notation for dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The canonical SMILES for dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is O=C(/C=C(\O)c1ccccc1)C(F)(F)F.[Dy].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
The InChIKey is JHDCYNWUVFLDGZ-QBUDOIDPSA-N. The full InChI is InChI=1S/C12H8N2.C10H7F3O2.Dy/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h1-8H;1-6,14H;/b;8-6-;.
What are the key properties of dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one?
dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one has a molecular weight of 558.87 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one is sourced from PubChem (CID 59381361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).