sulfuric acid;trifluoromethanesulfinate

CH2F3O6S2- — CID 175095514

IUPACsulfuric acid;trifluoromethanesulfinate
SMILESO=S(=O)(O)O.O=S([O-])C(F)(F)F
InChIInChI=1S/CHF3O2S.H2O4S/c2-1(3,4)7(5)6;1-5(2,3)4/h(H,5,6);(H2,1,2,3,4)/p-1
InChIKeyGNNGVGJGEOOGFF-UHFFFAOYSA-M
MW231.15 g/mol
LogP-0.27
Rot. Bonds

About sulfuric acid;trifluoromethanesulfinate

sulfuric acid;trifluoromethanesulfinate (PubChem CID 175095514) has the molecular formula CH2F3O6S2- and a molecular weight of 231.15 g/mol. Its IUPAC name is sulfuric acid;trifluoromethanesulfinate.

Molecular Properties

Compound Namesulfuric acid;trifluoromethanesulfinate
PubChem CID175095514
Molecular FormulaCH2F3O6S2-
Molecular Weight231.15 g/mol
Exact Mass230.93
IUPAC Namesulfuric acid;trifluoromethanesulfinate
SMILESO=S(=O)(O)O.O=S([O-])C(F)(F)F
InChIInChI=1S/CHF3O2S.H2O4S/c2-1(3,4)7(5)6;1-5(2,3)4/h(H,5,6);(H2,1,2,3,4)/p-1
InChIKeyGNNGVGJGEOOGFF-UHFFFAOYSA-M
XLogP-0.27
TPSA114.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

tris(trifluoromethanesulfinate);ytterbium(3+)
CID 134992343
CID 175447922
CID 175447922
ethane;trifluoromethanesulfinate
CID 89437311
sulfuric acid;sulfurous acid
CID 172712432
lithium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfinate
CID 174871743
CID 172999665
CID 172999665
CID 158691877
CID 158691877
CID 174910696
CID 174910696
trifluoro(methylsulfonyl)methane
CID 11215049
osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
platinum;trifluoromethanesulfonic acid
CID 87655055
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590

Frequently Asked Questions

What is the IUPAC name of sulfuric acid;trifluoromethanesulfinate?
The IUPAC name of sulfuric acid;trifluoromethanesulfinate (CID 175095514) is sulfuric acid;trifluoromethanesulfinate.
What is the SMILES notation for sulfuric acid;trifluoromethanesulfinate?
The canonical SMILES for sulfuric acid;trifluoromethanesulfinate is O=S(=O)(O)O.O=S([O-])C(F)(F)F.
What is the InChIKey of sulfuric acid;trifluoromethanesulfinate?
The InChIKey is GNNGVGJGEOOGFF-UHFFFAOYSA-M. The full InChI is InChI=1S/CHF3O2S.H2O4S/c2-1(3,4)7(5)6;1-5(2,3)4/h(H,5,6);(H2,1,2,3,4)/p-1.
What are the key properties of sulfuric acid;trifluoromethanesulfinate?
sulfuric acid;trifluoromethanesulfinate has a molecular weight of 231.15 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuric acid;trifluoromethanesulfinate is sourced from PubChem (CID 175095514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).