trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc

C2HF6O6S2Zn- — CID 138983544

IUPACtrifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn]
InChIInChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/p-1
InChIKeySQOSYUIFTVDEAS-UHFFFAOYSA-M
MW364.54 g/mol
LogP0.44
Rot. Bonds

About trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc

trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc (PubChem CID 138983544) has the molecular formula C2HF6O6S2Zn- and a molecular weight of 364.54 g/mol. Its IUPAC name is trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc.

Molecular Properties

Compound Nametrifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc
PubChem CID138983544
Molecular FormulaC2HF6O6S2Zn-
Molecular Weight364.54 g/mol
Exact Mass362.84
IUPAC Nametrifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc
SMILESO=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn]
InChIInChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/p-1
InChIKeySQOSYUIFTVDEAS-UHFFFAOYSA-M
XLogP0.44
TPSA111.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc?
The IUPAC name of trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc (CID 138983544) is trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc.
What is the SMILES notation for trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc?
The canonical SMILES for trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc is O=S(=O)(O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Zn].
What is the InChIKey of trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc?
The InChIKey is SQOSYUIFTVDEAS-UHFFFAOYSA-M. The full InChI is InChI=1S/2CHF3O3S.Zn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/p-1.
What are the key properties of trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc?
trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc has a molecular weight of 364.54 g/mol, XLogP of 0.44, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonate;trifluoromethanesulfonic acid;zinc is sourced from PubChem (CID 138983544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).