bis(trifluoromethanesulfonic acid);zinc;hydrate

C2H4F6O7S2Zn — CID 175736701

IUPACbis(trifluoromethanesulfonic acid);zinc;hydrate
SMILESO.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Zn]
InChIInChI=1S/2CHF3O3S.H2O.Zn/c2*2-1(3,4)8(5,6)7;;/h2*(H,5,6,7);1H2;
InChIKeyNNABSKFMIUUEJZ-UHFFFAOYSA-N
MW383.56 g/mol
LogP-0.04
Rot. Bonds

About bis(trifluoromethanesulfonic acid);zinc;hydrate

bis(trifluoromethanesulfonic acid);zinc;hydrate (PubChem CID 175736701) has the molecular formula C2H4F6O7S2Zn and a molecular weight of 383.56 g/mol. Its IUPAC name is bis(trifluoromethanesulfonic acid);zinc;hydrate.

Molecular Properties

Compound Namebis(trifluoromethanesulfonic acid);zinc;hydrate
PubChem CID175736701
Molecular FormulaC2H4F6O7S2Zn
Molecular Weight383.56 g/mol
Exact Mass381.86
IUPAC Namebis(trifluoromethanesulfonic acid);zinc;hydrate
SMILESO.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Zn]
InChIInChI=1S/2CHF3O3S.H2O.Zn/c2*2-1(3,4)8(5,6)7;;/h2*(H,5,6,7);1H2;
InChIKeyNNABSKFMIUUEJZ-UHFFFAOYSA-N
XLogP-0.04
TPSA140.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

trifluoromethanesulfonic acid;zinc
CID 45051803
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CID 174756468
phosphane;trifluoromethanesulfonic acid;zinc;hydrofluoride
CID 174954004
platinum;trifluoromethanesulfonic acid
CID 87655055
bis(trifluoromethanesulfonic acid);ytterbium
CID 72641674
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
CID 160972181
CID 160972181
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
boric acid;trifluoromethanesulfonic acid
CID 161076085
benzene;trifluoromethanesulfonic acid
CID 87157881

Frequently Asked Questions

What is the IUPAC name of bis(trifluoromethanesulfonic acid);zinc;hydrate?
The IUPAC name of bis(trifluoromethanesulfonic acid);zinc;hydrate (CID 175736701) is bis(trifluoromethanesulfonic acid);zinc;hydrate.
What is the SMILES notation for bis(trifluoromethanesulfonic acid);zinc;hydrate?
The canonical SMILES for bis(trifluoromethanesulfonic acid);zinc;hydrate is O.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Zn].
What is the InChIKey of bis(trifluoromethanesulfonic acid);zinc;hydrate?
The InChIKey is NNABSKFMIUUEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2CHF3O3S.H2O.Zn/c2*2-1(3,4)8(5,6)7;;/h2*(H,5,6,7);1H2;.
What are the key properties of bis(trifluoromethanesulfonic acid);zinc;hydrate?
bis(trifluoromethanesulfonic acid);zinc;hydrate has a molecular weight of 383.56 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trifluoromethanesulfonic acid);zinc;hydrate is sourced from PubChem (CID 175736701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).