ethane;bis(trifluoromethanesulfonate);ytterbium(3+)

C4H5F6O6S2Yb — CID 86717837

IUPACethane;bis(trifluoromethanesulfonate);ytterbium(3+)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH2-]C.[Yb+3]
InChIInChI=1S/C2H5.2CHF3O3S.Yb/c1-2;2*2-1(3,4)8(5,6)7;/h1H2,2H3;2*(H,5,6,7);/q-1;;;+3/p-2
InChIKeyXTUBAIMDAUOCEM-UHFFFAOYSA-L
MW500.24 g/mol
LogP0.94
Rot. Bonds

About ethane;bis(trifluoromethanesulfonate);ytterbium(3+)

ethane;bis(trifluoromethanesulfonate);ytterbium(3+) (PubChem CID 86717837) has the molecular formula C4H5F6O6S2Yb and a molecular weight of 500.24 g/mol. Its IUPAC name is ethane;bis(trifluoromethanesulfonate);ytterbium(3+).

Molecular Properties

Compound Nameethane;bis(trifluoromethanesulfonate);ytterbium(3+)
PubChem CID86717837
Molecular FormulaC4H5F6O6S2Yb
Molecular Weight500.24 g/mol
Exact Mass500.88
IUPAC Nameethane;bis(trifluoromethanesulfonate);ytterbium(3+)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH2-]C.[Yb+3]
InChIInChI=1S/C2H5.2CHF3O3S.Yb/c1-2;2*2-1(3,4)8(5,6)7;/h1H2,2H3;2*(H,5,6,7);/q-1;;;+3/p-2
InChIKeyXTUBAIMDAUOCEM-UHFFFAOYSA-L
XLogP0.94
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.24
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(trifluoromethanesulfonate);ytterbium(3+)?
The IUPAC name of ethane;bis(trifluoromethanesulfonate);ytterbium(3+) (CID 86717837) is ethane;bis(trifluoromethanesulfonate);ytterbium(3+).
What is the SMILES notation for ethane;bis(trifluoromethanesulfonate);ytterbium(3+)?
The canonical SMILES for ethane;bis(trifluoromethanesulfonate);ytterbium(3+) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH2-]C.[Yb+3].
What is the InChIKey of ethane;bis(trifluoromethanesulfonate);ytterbium(3+)?
The InChIKey is XTUBAIMDAUOCEM-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H5.2CHF3O3S.Yb/c1-2;2*2-1(3,4)8(5,6)7;/h1H2,2H3;2*(H,5,6,7);/q-1;;;+3/p-2.
What are the key properties of ethane;bis(trifluoromethanesulfonate);ytterbium(3+)?
ethane;bis(trifluoromethanesulfonate);ytterbium(3+) has a molecular weight of 500.24 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(trifluoromethanesulfonate);ytterbium(3+) is sourced from PubChem (CID 86717837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).