lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide

C6HF14LiNO4S2+ — CID 173199731

IUPAClithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6HF14NO4S2.Li/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16;/h21H;/q;+1
InChIKeyOFNGZUXZHBBHQA-UHFFFAOYSA-N
MW488.12 g/mol
LogP-0.18
Rot. Bonds6

About lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide

lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide (PubChem CID 173199731) has the molecular formula C6HF14LiNO4S2+ and a molecular weight of 488.12 g/mol. Its IUPAC name is lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide.

Molecular Properties

Compound Namelithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
PubChem CID173199731
Molecular FormulaC6HF14LiNO4S2+
Molecular Weight488.12 g/mol
Exact Mass487.93
IUPAC Namelithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6HF14NO4S2.Li/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16;/h21H;/q;+1
InChIKeyOFNGZUXZHBBHQA-UHFFFAOYSA-N
XLogP-0.18
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.12
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
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CID 155317025
indium(3+);bis(1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide)
CID 131725280
N-methylmethanamine;1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 171932401
1,1,2,2,3,3,3-heptafluoropropane-1-sulfonyl iodide
CID 87237688
silver 1,1,2,2,3,3,3-heptafluoropropane-1-sulfonate
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Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide?
The IUPAC name of lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide (CID 173199731) is lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide.
What is the SMILES notation for lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide?
The canonical SMILES for lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide?
The InChIKey is OFNGZUXZHBBHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF14NO4S2.Li/c7-1(8,3(11,12)13)5(17,18)26(22,23)21-27(24,25)6(19,20)2(9,10)4(14,15)16;/h21H;/q;+1.
What are the key properties of lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide?
lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide has a molecular weight of 488.12 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,3,3,3-heptafluoro-N-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)propane-1-sulfonamide is sourced from PubChem (CID 173199731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).