titanium;bis(trifluoromethanesulfonic acid)

C2H2F6O6S2Ti — CID 50910904

IUPACtitanium;bis(trifluoromethanesulfonic acid)
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Ti]
InChIInChI=1S/2CHF3O3S.Ti/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);
InChIKeyBYHMSWCCEBIKQT-UHFFFAOYSA-N
MW348.02 g/mol
LogP0.79
Rot. Bonds

About titanium;bis(trifluoromethanesulfonic acid)

titanium;bis(trifluoromethanesulfonic acid) (PubChem CID 50910904) has the molecular formula C2H2F6O6S2Ti and a molecular weight of 348.02 g/mol. Its IUPAC name is titanium;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Nametitanium;bis(trifluoromethanesulfonic acid)
PubChem CID50910904
Molecular FormulaC2H2F6O6S2Ti
Molecular Weight348.02 g/mol
Exact Mass347.87
IUPAC Nametitanium;bis(trifluoromethanesulfonic acid)
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Ti]
InChIInChI=1S/2CHF3O3S.Ti/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);
InChIKeyBYHMSWCCEBIKQT-UHFFFAOYSA-N
XLogP0.79
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.02
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 titanium;bis(trifluoromethanesulfonic acid)?
The IUPAC name of titanium;bis(trifluoromethanesulfonic acid) (CID 50910904) is titanium;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for titanium;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for titanium;bis(trifluoromethanesulfonic acid) is O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Ti].
What is the InChIKey of titanium;bis(trifluoromethanesulfonic acid)?
The InChIKey is BYHMSWCCEBIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHF3O3S.Ti/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);.
What are the key properties of titanium;bis(trifluoromethanesulfonic acid)?
titanium;bis(trifluoromethanesulfonic acid) has a molecular weight of 348.02 g/mol, XLogP of 0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 50910904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).