sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide

C6H6F8NNaO6S2 — CID 59957279

IUPACsodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.[Na+]
InChIInChI=1S/C6H6F8NO6S2.Na/c7-3(8)5(11,12)1-20-22(16,17)15-23(18,19)21-2-6(13,14)4(9)10;/h3-4H,1-2H2;/q-1;+1
InChIKeyGTXWDMCBKBACHV-UHFFFAOYSA-N
MW427.22 g/mol
LogP-1.31
Rot. Bonds10

About sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide

sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide (PubChem CID 59957279) has the molecular formula C6H6F8NNaO6S2 and a molecular weight of 427.22 g/mol. Its IUPAC name is sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide.

Molecular Properties

Compound Namesodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
PubChem CID59957279
Molecular FormulaC6H6F8NNaO6S2
Molecular Weight427.22 g/mol
Exact Mass426.94
IUPAC Namesodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.[Na+]
InChIInChI=1S/C6H6F8NO6S2.Na/c7-3(8)5(11,12)1-20-22(16,17)15-23(18,19)21-2-6(13,14)4(9)10;/h3-4H,1-2H2;/q-1;+1
InChIKeyGTXWDMCBKBACHV-UHFFFAOYSA-N
XLogP-1.31
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.22
LogP ≤ 5-1.31
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 sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide?
The IUPAC name of sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide (CID 59957279) is sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide.
What is the SMILES notation for sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide?
The canonical SMILES for sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)OCC(F)(F)C(F)F)OCC(F)(F)C(F)F.[Na+].
What is the InChIKey of sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide?
The InChIKey is GTXWDMCBKBACHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8NO6S2.Na/c7-3(8)5(11,12)1-20-22(16,17)15-23(18,19)21-2-6(13,14)4(9)10;/h3-4H,1-2H2;/q-1;+1.
What are the key properties of sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide?
sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide has a molecular weight of 427.22 g/mol, XLogP of -1.31, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(2,2,3,3-tetrafluoropropoxysulfonyl)azanide is sourced from PubChem (CID 59957279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).