trifluoromethanesulfonic acid;zinc

CHF3O3SZn — CID 45051803

IUPACtrifluoromethanesulfonic acid;zinc
SMILESO=S(=O)(O)C(F)(F)F.[Zn]
InChIInChI=1S/CHF3O3S.Zn/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
InChIKeyNGOCMUBXJDDBLB-UHFFFAOYSA-N
MW215.47 g/mol
LogP0.39
Rot. Bonds

About trifluoromethanesulfonic acid;zinc

trifluoromethanesulfonic acid;zinc (PubChem CID 45051803) has the molecular formula CHF3O3SZn and a molecular weight of 215.47 g/mol. Its IUPAC name is trifluoromethanesulfonic acid;zinc.

Molecular Properties

Compound Nametrifluoromethanesulfonic acid;zinc
PubChem CID45051803
Molecular FormulaCHF3O3SZn
Molecular Weight215.47 g/mol
Exact Mass213.89
IUPAC Nametrifluoromethanesulfonic acid;zinc
SMILESO=S(=O)(O)C(F)(F)F.[Zn]
InChIInChI=1S/CHF3O3S.Zn/c2-1(3,4)8(5,6)7;/h(H,5,6,7);
InChIKeyNGOCMUBXJDDBLB-UHFFFAOYSA-N
XLogP0.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.47
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 trifluoromethanesulfonic acid;zinc?
The IUPAC name of trifluoromethanesulfonic acid;zinc (CID 45051803) is trifluoromethanesulfonic acid;zinc.
What is the SMILES notation for trifluoromethanesulfonic acid;zinc?
The canonical SMILES for trifluoromethanesulfonic acid;zinc is O=S(=O)(O)C(F)(F)F.[Zn].
What is the InChIKey of trifluoromethanesulfonic acid;zinc?
The InChIKey is NGOCMUBXJDDBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O3S.Zn/c2-1(3,4)8(5,6)7;/h(H,5,6,7);.
What are the key properties of trifluoromethanesulfonic acid;zinc?
trifluoromethanesulfonic acid;zinc has a molecular weight of 215.47 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanesulfonic acid;zinc is sourced from PubChem (CID 45051803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).