difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate

C2F6O6S2 — CID 150438167

IUPACdifluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C2F6O6S2/c3-1(4,15(9,10)13-7)2(5,6)16(11,12)14-8
InChIKeyHLEYZTOZVLSWJZ-UHFFFAOYSA-N
MW298.14 g/mol
LogP0.63
Rot. Bonds5

About difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate

difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate (PubChem CID 150438167) has the molecular formula C2F6O6S2 and a molecular weight of 298.14 g/mol. Its IUPAC name is difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate.

Molecular Properties

Compound Namedifluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate
PubChem CID150438167
Molecular FormulaC2F6O6S2
Molecular Weight298.14 g/mol
Exact Mass297.90
IUPAC Namedifluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C2F6O6S2/c3-1(4,15(9,10)13-7)2(5,6)16(11,12)14-8
InChIKeyHLEYZTOZVLSWJZ-UHFFFAOYSA-N
XLogP0.63
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.14
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate?
The IUPAC name of difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate (CID 150438167) is difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate.
What is the SMILES notation for difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate?
The canonical SMILES for difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate is O=S(=O)(OF)C(F)(F)C(F)(F)S(=O)(=O)OF.
What is the InChIKey of difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate?
The InChIKey is HLEYZTOZVLSWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F6O6S2/c3-1(4,15(9,10)13-7)2(5,6)16(11,12)14-8.
What are the key properties of difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate?
difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate has a molecular weight of 298.14 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro 1,1,2,2-tetrafluoroethane-1,2-disulfonate is sourced from PubChem (CID 150438167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).