dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate

C2F4K2O6S2 — CID 87397454

IUPACdipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate
SMILESO=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C2H2F4O6S2.2K/c3-1(4,5)2(6,13(7,8)9)14(10,11)12;;/h(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKeyJMGDDFPGFHHEKA-UHFFFAOYSA-L
MW338.34 g/mol
LogP-6.73
Rot. Bonds2

About dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate

dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate (PubChem CID 87397454) has the molecular formula C2F4K2O6S2 and a molecular weight of 338.34 g/mol. Its IUPAC name is dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate.

Molecular Properties

Compound Namedipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate
PubChem CID87397454
Molecular FormulaC2F4K2O6S2
Molecular Weight338.34 g/mol
Exact Mass337.83
IUPAC Namedipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate
SMILESO=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)[O-].[K+].[K+]
InChIInChI=1S/C2H2F4O6S2.2K/c3-1(4,5)2(6,13(7,8)9)14(10,11)12;;/h(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKeyJMGDDFPGFHHEKA-UHFFFAOYSA-L
XLogP-6.73
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 5-6.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium 1,1,2,2,2-pentafluoroethanesulfonate
CID 23666373
1,1,2,2,2-pentafluoroethanesulfonate
CID 22062497
sodium 1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propane-2-sulfonate
CID 175688576
dilithium bis(1,1,2,2,2-pentafluoroethanesulfonate)
CID 153294032
pentakis(trifluoromethanesulfonate);vanadium
CID 140617079
fluoromethanetrisulfonate
CID 59641509
scandium(3+);bis(trifluoromethanesulfonate)
CID 135121751
CID 170997250
CID 170997250
dodecakis(cerium(3+));(trifluoromethanesulfonate)
CID 173221749
dilithium;hydride;trifluoromethanesulfonate
CID 173362891
1,1,1,3,3,3-hexafluoro-2-hydroxypropane-2-sulfonate
CID 23533129
1,1,1-trifluoro-2-methylpropane-2-sulfonate
CID 159704009

Frequently Asked Questions

What is the IUPAC name of dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate?
The IUPAC name of dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate (CID 87397454) is dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate.
What is the SMILES notation for dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate?
The canonical SMILES for dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate is O=S(=O)([O-])C(F)(C(F)(F)F)S(=O)(=O)[O-].[K+].[K+].
What is the InChIKey of dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate?
The InChIKey is JMGDDFPGFHHEKA-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H2F4O6S2.2K/c3-1(4,5)2(6,13(7,8)9)14(10,11)12;;/h(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2.
What are the key properties of dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate?
dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate has a molecular weight of 338.34 g/mol, XLogP of -6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1,2,2,2-tetrafluoroethane-1,1-disulfonate is sourced from PubChem (CID 87397454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).