potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide

C12F26KNO4S2 — CID 154703557

About potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide

potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide (PubChem CID 154703557) has the molecular formula C12F26KNO4S2 and a molecular weight of 819.31 g/mol. Its IUPAC name is potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide.

Molecular Properties

• Compound Name: potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
• PubChem CID: 154703557
• Molecular Formula: C12F26KNO4S2
• Molecular Weight: 819.31 g/mol
• Exact Mass: 818.85
• IUPAC Name: potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide
• SMILES: O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+]
• InChI: InChI=1S/C12F26NO4S2.K/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)44(40,41)39-45(42,43)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34;/q-1;+1
• InChIKey: KPWPTIQELOCXAE-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 82.38 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	819.31
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide?

The IUPAC name of potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide (CID 154703557) is potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide.

What is the SMILES notation for potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide?

The canonical SMILES for potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[K+].

What is the InChIKey of potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide?

The InChIKey is KPWPTIQELOCXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F26NO4S2.K/c13-1(14,5(21,22)9(29,30)31)3(17,18)7(25,26)11(35,36)44(40,41)39-45(42,43)12(37,38)8(27,28)4(19,20)2(15,16)6(23,24)10(32,33)34;/q-1;+1.

What are the key properties of potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide?

potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide has a molecular weight of 819.31 g/mol, XLogP of 4.42, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for potassium bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonyl)azanide is sourced from PubChem (CID 154703557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).