manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid

C3HF9MnO9S3 — CID 173305573

IUPACmanganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2]
InChIInChI=1S/3CHF3O3S.Mn/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+2/p-2
InChIKeyCJKADJMGZUADFL-UHFFFAOYSA-L
MW503.15 g/mol
LogP0.49
Rot. Bonds

About manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid

manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid (PubChem CID 173305573) has the molecular formula C3HF9MnO9S3 and a molecular weight of 503.15 g/mol. Its IUPAC name is manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid.

Molecular Properties

Compound Namemanganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid
PubChem CID173305573
Molecular FormulaC3HF9MnO9S3
Molecular Weight503.15 g/mol
Exact Mass502.80
IUPAC Namemanganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2]
InChIInChI=1S/3CHF3O3S.Mn/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+2/p-2
InChIKeyCJKADJMGZUADFL-UHFFFAOYSA-L
XLogP0.49
TPSA168.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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 manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid?
The IUPAC name of manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid (CID 173305573) is manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid.
What is the SMILES notation for manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid?
The canonical SMILES for manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid is O=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mn+2].
What is the InChIKey of manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid?
The InChIKey is CJKADJMGZUADFL-UHFFFAOYSA-L. The full InChI is InChI=1S/3CHF3O3S.Mn/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+2/p-2.
What are the key properties of manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid?
manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid has a molecular weight of 503.15 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for manganese(2+);bis(trifluoromethanesulfonate);trifluoromethanesulfonic acid is sourced from PubChem (CID 173305573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).