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

C36H42EuF9O6 — CID 5490153

IUPACeuropium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)
SMILESCC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.[Eu+3]
InChIInChI=1S/3C12H15F3O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15;/h3*6,17H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;
InChIKeyBWIHMSGCCRUUCZ-NCJHBDPTSA-K
MW893.67 g/mol
LogP6.56
Rot. Bonds

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

europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate) (PubChem CID 5490153) has the molecular formula C36H42EuF9O6 and a molecular weight of 893.67 g/mol. Its IUPAC name is europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate).

Molecular Properties

Compound Nameeuropium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)
PubChem CID5490153
Molecular FormulaC36H42EuF9O6
Molecular Weight893.67 g/mol
Exact Mass894.20
IUPAC Nameeuropium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)
SMILESCC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.[Eu+3]
InChIInChI=1S/3C12H15F3O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15;/h3*6,17H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;
InChIKeyBWIHMSGCCRUUCZ-NCJHBDPTSA-K
XLogP6.56
TPSA120.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.67
LogP ≤ 56.56
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'}

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Frequently Asked Questions

What is the IUPAC name of europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)?
The IUPAC name of europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate) (CID 5490153) is europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate).
What is the SMILES notation for europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)?
The canonical SMILES for europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate) is CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.CC12CCC(/C(=C(/[O-])C(F)(F)F)C1=O)C2(C)C.[Eu+3].
What is the InChIKey of europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)?
The InChIKey is BWIHMSGCCRUUCZ-NCJHBDPTSA-K. The full InChI is InChI=1S/3C12H15F3O2.Eu/c3*1-10(2)6-4-5-11(10,3)8(16)7(6)9(17)12(13,14)15;/h3*6,17H,4-5H2,1-3H3;/q;;;+3/p-3/b3*9-7-;.
What are the key properties of europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate)?
europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate) has a molecular weight of 893.67 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris((1Z)-2,2,2-trifluoro-1-(4,7,7-trimethyl-3-oxo-2-bicyclo[2.2.1]heptanylidene)ethanolate) is sourced from PubChem (CID 5490153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).