difluoromethanesulfinic acid;zinc

CH2F2O2SZn — CID 140809876

IUPACdifluoromethanesulfinic acid;zinc
SMILESO=S(O)C(F)F.[Zn]
InChIInChI=1S/CH2F2O2S.Zn/c2-1(3)6(4)5;/h1H,(H,4,5);
InChIKeyRQZULCLQVHAIAM-UHFFFAOYSA-N
MW181.48 g/mol
LogP0.43
Rot. Bonds1

About difluoromethanesulfinic acid;zinc

difluoromethanesulfinic acid;zinc (PubChem CID 140809876) has the molecular formula CH2F2O2SZn and a molecular weight of 181.48 g/mol. Its IUPAC name is difluoromethanesulfinic acid;zinc.

Molecular Properties

Compound Namedifluoromethanesulfinic acid;zinc
PubChem CID140809876
Molecular FormulaCH2F2O2SZn
Molecular Weight181.48 g/mol
Exact Mass179.90
IUPAC Namedifluoromethanesulfinic acid;zinc
SMILESO=S(O)C(F)F.[Zn]
InChIInChI=1S/CH2F2O2S.Zn/c2-1(3)6(4)5;/h1H,(H,4,5);
InChIKeyRQZULCLQVHAIAM-UHFFFAOYSA-N
XLogP0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.48
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,2,2-tetrafluoroethanesulfinic acid
CID 57279877
1,2-dihydroxyethane-1,2-disulfinic acid
CID 87186532
1,1,3,4-tetrafluoro-4-hydroxybutane-2-sulfinic acid
CID 174730302
ethane-1,1-disulfinic acid
CID 56623500
zinc;bis(difluoromethanesulfinate);hydrate
CID 140663281
1-sulfanylethanesulfinic acid
CID 57298371
1,1,1-trifluoropropane-2-sulfinic acid
CID 90937368
sodium;1-fluoro-4-hydroxybutane-1-sulfinic acid;hydride
CID 174840807
hydrogen sulfite;zinc;dihydrate
CID 66545802
CID 86742114
CID 86742114
hydron;sulfurous acid
CID 173020149
CID 162004424
CID 162004424

Frequently Asked Questions

What is the IUPAC name of difluoromethanesulfinic acid;zinc?
The IUPAC name of difluoromethanesulfinic acid;zinc (CID 140809876) is difluoromethanesulfinic acid;zinc.
What is the SMILES notation for difluoromethanesulfinic acid;zinc?
The canonical SMILES for difluoromethanesulfinic acid;zinc is O=S(O)C(F)F.[Zn].
What is the InChIKey of difluoromethanesulfinic acid;zinc?
The InChIKey is RQZULCLQVHAIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2F2O2S.Zn/c2-1(3)6(4)5;/h1H,(H,4,5);.
What are the key properties of difluoromethanesulfinic acid;zinc?
difluoromethanesulfinic acid;zinc has a molecular weight of 181.48 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethanesulfinic acid;zinc is sourced from PubChem (CID 140809876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).