zinc;bis(difluoromethanesulfinate);hydrate

C2H4F4O5S2Zn — CID 140663281

IUPACzinc;bis(difluoromethanesulfinate);hydrate
SMILESO.O=S([O-])C(F)F.O=S([O-])C(F)F.[Zn+2]
InChIInChI=1S/2CH2F2O2S.H2O.Zn/c2*2-1(3)6(4)5;;/h2*1H,(H,4,5);1H2;/q;;;+2/p-2
InChIKeyJJHWKPYNNZAHDW-UHFFFAOYSA-L
MW313.56 g/mol
LogP-0.65
Rot. Bonds2

About zinc;bis(difluoromethanesulfinate);hydrate

zinc;bis(difluoromethanesulfinate);hydrate (PubChem CID 140663281) has the molecular formula C2H4F4O5S2Zn and a molecular weight of 313.56 g/mol. Its IUPAC name is zinc;bis(difluoromethanesulfinate);hydrate.

Molecular Properties

Compound Namezinc;bis(difluoromethanesulfinate);hydrate
PubChem CID140663281
Molecular FormulaC2H4F4O5S2Zn
Molecular Weight313.56 g/mol
Exact Mass311.87
IUPAC Namezinc;bis(difluoromethanesulfinate);hydrate
SMILESO.O=S([O-])C(F)F.O=S([O-])C(F)F.[Zn+2]
InChIInChI=1S/2CH2F2O2S.H2O.Zn/c2*2-1(3)6(4)5;;/h2*1H,(H,4,5);1H2;/q;;;+2/p-2
InChIKeyJJHWKPYNNZAHDW-UHFFFAOYSA-L
XLogP-0.65
TPSA111.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.56
LogP ≤ 5-0.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;bis(difluoromethanesulfinate);hydrate?
The IUPAC name of zinc;bis(difluoromethanesulfinate);hydrate (CID 140663281) is zinc;bis(difluoromethanesulfinate);hydrate.
What is the SMILES notation for zinc;bis(difluoromethanesulfinate);hydrate?
The canonical SMILES for zinc;bis(difluoromethanesulfinate);hydrate is O.O=S([O-])C(F)F.O=S([O-])C(F)F.[Zn+2].
What is the InChIKey of zinc;bis(difluoromethanesulfinate);hydrate?
The InChIKey is JJHWKPYNNZAHDW-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH2F2O2S.H2O.Zn/c2*2-1(3)6(4)5;;/h2*1H,(H,4,5);1H2;/q;;;+2/p-2.
What are the key properties of zinc;bis(difluoromethanesulfinate);hydrate?
zinc;bis(difluoromethanesulfinate);hydrate has a molecular weight of 313.56 g/mol, XLogP of -0.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;bis(difluoromethanesulfinate);hydrate is sourced from PubChem (CID 140663281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).