europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)

C42H42EuF21O6 — CID 5490150

IUPACeuropium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)
SMILESCC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.[Eu+3]
InChIInChI=1S/3C14H15F7O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;
InChIKeyVGLKHVQPWGFXEG-NCJHBDPTSA-K
MW1193.71 g/mol
LogP10.38
Rot. Bonds6

About europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)

europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate) (PubChem CID 5490150) has the molecular formula C42H42EuF21O6 and a molecular weight of 1193.71 g/mol. Its IUPAC name is europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate).

Molecular Properties

Compound Nameeuropium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)
PubChem CID5490150
Molecular FormulaC42H42EuF21O6
Molecular Weight1193.71 g/mol
Exact Mass1194.19
IUPAC Nameeuropium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)
SMILESCC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.[Eu+3]
InChIInChI=1S/3C14H15F7O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;
InChIKeyVGLKHVQPWGFXEG-NCJHBDPTSA-K
XLogP10.38
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001193.71
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)?
The IUPAC name of europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate) (CID 5490150) is europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate).
What is the SMILES notation for europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)?
The canonical SMILES for europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate) is CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)C(F)(F)C(F)(F)F)C1=O)C2(C)C.[Eu+3].
What is the InChIKey of europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)?
The InChIKey is VGLKHVQPWGFXEG-NCJHBDPTSA-K. The full InChI is InChI=1S/3C14H15F7O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21;/h3*6,23H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;.
What are the key properties of europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate)?
europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate) has a molecular weight of 1193.71 g/mol, XLogP of 10.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris((1Z)-2,2,3,3,4,4,4-heptafluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)butan-1-olate) is sourced from PubChem (CID 5490150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).