europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)

C30H42EuF21O6 — CID 88642670

IUPACeuropium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)
SMILES[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[Eu+3]
InChIInChI=1S/3C10H14F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*5-6,18-19H,1,4H2,2-3H3;/q3*-1;+3
InChIKeyVDQMWNUABDKEKE-UHFFFAOYSA-N
MW1049.58 g/mol
LogP8.37
Rot. Bonds15

About europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)

europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol) (PubChem CID 88642670) has the molecular formula C30H42EuF21O6 and a molecular weight of 1049.58 g/mol. Its IUPAC name is europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol).

Molecular Properties

Compound Nameeuropium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)
PubChem CID88642670
Molecular FormulaC30H42EuF21O6
Molecular Weight1049.58 g/mol
Exact Mass1050.19
IUPAC Nameeuropium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)
SMILES[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[Eu+3]
InChIInChI=1S/3C10H14F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*5-6,18-19H,1,4H2,2-3H3;/q3*-1;+3
InChIKeyVDQMWNUABDKEKE-UHFFFAOYSA-N
XLogP8.37
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001049.58
LogP ≤ 58.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', '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(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)?
The IUPAC name of europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol) (CID 88642670) is europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol).
What is the SMILES notation for europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)?
The canonical SMILES for europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol) is [CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[CH2-]C(C)(C)C(O)CC(O)C(F)(F)C(F)(F)C(F)(F)F.[Eu+3].
What is the InChIKey of europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)?
The InChIKey is VDQMWNUABDKEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H14F7O2.Eu/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*5-6,18-19H,1,4H2,2-3H3;/q3*-1;+3.
What are the key properties of europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol)?
europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol) has a molecular weight of 1049.58 g/mol, XLogP of 8.37, 15 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for europium(3+);tris(6,6,7,7,8,8,8-heptafluoro-2-methanidyl-2-methyloctane-3,5-diol) is sourced from PubChem (CID 88642670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).