sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

C8F16NNaO6S2 — CID 101009227

About sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide

sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 101009227) has the molecular formula C8F16NNaO6S2 and a molecular weight of 597.18 g/mol. Its IUPAC name is sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

Molecular Properties

• Compound Name: sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
• PubChem CID: 101009227
• Molecular Formula: C8F16NNaO6S2
• Molecular Weight: 597.18 g/mol
• Exact Mass: 596.88
• IUPAC Name: sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide
• SMILES: O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F)C(F)(F)F.[Na+]
• InChI: InChI=1S/C8F16NO6S2.Na/c9-1(10)2(11)30-5(16,17)3(12,4(13,14)15)31-6(18,19)7(20,21)32(26,27)25-33(28,29)8(22,23)24;/q-1;+1
• InChIKey: VSJFQDKDEJMIFR-UHFFFAOYSA-N
• XLogP: 1.62
• TPSA: 100.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	597.18
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The IUPAC name of sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 101009227) is sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide.

What is the SMILES notation for sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The canonical SMILES for sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F)C(F)(F)F.[Na+].

What is the InChIKey of sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

The InChIKey is VSJFQDKDEJMIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F16NO6S2.Na/c9-1(10)2(11)30-5(16,17)3(12,4(13,14)15)31-6(18,19)7(20,21)32(26,27)25-33(28,29)8(22,23)24;/q-1;+1.

What are the key properties of sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide?

sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 597.18 g/mol, XLogP of 1.62, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium [1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 101009227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).