scandium(3+);bis(trifluoromethanesulfonate)

C2F6O6S2Sc+ — CID 135121751

IUPACscandium(3+);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sc+3]
InChIInChI=1S/2CHF3O3S.Sc/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+3/p-2
InChIKeyYQSSDTQQZQLGHU-UHFFFAOYSA-L
MW343.09 g/mol
LogP0.10
Rot. Bonds

About scandium(3+);bis(trifluoromethanesulfonate)

scandium(3+);bis(trifluoromethanesulfonate) (PubChem CID 135121751) has the molecular formula C2F6O6S2Sc+ and a molecular weight of 343.09 g/mol. Its IUPAC name is scandium(3+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namescandium(3+);bis(trifluoromethanesulfonate)
PubChem CID135121751
Molecular FormulaC2F6O6S2Sc+
Molecular Weight343.09 g/mol
Exact Mass342.86
IUPAC Namescandium(3+);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sc+3]
InChIInChI=1S/2CHF3O3S.Sc/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+3/p-2
InChIKeyYQSSDTQQZQLGHU-UHFFFAOYSA-L
XLogP0.10
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.09
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 scandium(3+);bis(trifluoromethanesulfonate)?
The IUPAC name of scandium(3+);bis(trifluoromethanesulfonate) (CID 135121751) is scandium(3+);bis(trifluoromethanesulfonate).
What is the SMILES notation for scandium(3+);bis(trifluoromethanesulfonate)?
The canonical SMILES for scandium(3+);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Sc+3].
What is the InChIKey of scandium(3+);bis(trifluoromethanesulfonate)?
The InChIKey is YQSSDTQQZQLGHU-UHFFFAOYSA-L. The full InChI is InChI=1S/2CHF3O3S.Sc/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+3/p-2.
What are the key properties of scandium(3+);bis(trifluoromethanesulfonate)?
scandium(3+);bis(trifluoromethanesulfonate) has a molecular weight of 343.09 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for scandium(3+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 135121751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).