europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)

C24H12EuF9O6S3 — CID 5488991

IUPACeuropium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Eu+3]
InChIInChI=1S/3C8H5F3O2S.Eu/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4,12H;/q;;;+3/p-3/b3*5-4-;
InChIKeyQFJKOQANXWMNMO-VNGPFPIXSA-K
MW815.50 g/mol
LogP4.74
Rot. Bonds6

About europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)

europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) (PubChem CID 5488991) has the molecular formula C24H12EuF9O6S3 and a molecular weight of 815.50 g/mol. Its IUPAC name is europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate).

Molecular Properties

Compound Nameeuropium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
PubChem CID5488991
Molecular FormulaC24H12EuF9O6S3
Molecular Weight815.50 g/mol
Exact Mass815.89
IUPAC Nameeuropium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Eu+3]
InChIInChI=1S/3C8H5F3O2S.Eu/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4,12H;/q;;;+3/p-3/b3*5-4-;
InChIKeyQFJKOQANXWMNMO-VNGPFPIXSA-K
XLogP4.74
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500815.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

sodium (Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate
CID 167420353
N,N,N',N'-tetramethylethane-1,2-diamine;bis(1,1,1-trifluoro-4-hydroxy-4-thiophen-2-ylbut-3-en-2-one);zinc
CID 171369823
4,4,4-trifluoro-3-thiophen-2-ylbut-2-enoic acid
CID 57367558
(Z)-4,4,4-trifluoro-3-phenyl-1-thiophen-2-ylbut-2-en-1-one
CID 7124332
sodium thiophene-2-carboxylate
CID 23672340
CID 11983060
CID 11983060
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
2,2,3,3,3-pentafluoro-1-thiophen-2-ylpropan-1-one
CID 103749127
N,N,N',N'-tetramethylethane-1,2-diamine;bis((E)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one);zinc
CID 172913454
N,N,N',N'-tetramethylethane-1,2-diamine;(Z)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one;(E)-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one;zinc
CID 178186212
nickel(2+);(Z)-3-[2-[[(Z)-4-oxido-4-thiophen-2-ylbut-3-en-2-ylidene]amino]ethylimino]-1-thiophen-2-ylbut-1-en-1-olate
CID 139178965
2,2-dimethyl-5-thiophen-2-ylhex-4-en-3-one
CID 71404653

Frequently Asked Questions

What is the IUPAC name of europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
The IUPAC name of europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) (CID 5488991) is europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate).
What is the SMILES notation for europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
The canonical SMILES for europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) is O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.O=C(/C=C(\[O-])c1cccs1)C(F)(F)F.[Eu+3].
What is the InChIKey of europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
The InChIKey is QFJKOQANXWMNMO-VNGPFPIXSA-K. The full InChI is InChI=1S/3C8H5F3O2S.Eu/c3*9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;/h3*1-4,12H;/q;;;+3/p-3/b3*5-4-;.
What are the key properties of europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate)?
europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) has a molecular weight of 815.50 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris((Z)-4,4,4-trifluoro-3-oxo-1-thiophen-2-ylbut-1-en-1-olate) is sourced from PubChem (CID 5488991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).