lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide

C4HF10LiNO4S2+ — CID 173034743

IUPAClithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4HF10NO4S2.Li/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/h15H;/q;+1
InChIKeyNCVGHRMRCAZAJG-UHFFFAOYSA-N
MW388.11 g/mol
LogP-1.45
Rot. Bonds4

About lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide

lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide (PubChem CID 173034743) has the molecular formula C4HF10LiNO4S2+ and a molecular weight of 388.11 g/mol. Its IUPAC name is lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound Namelithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
PubChem CID173034743
Molecular FormulaC4HF10LiNO4S2+
Molecular Weight388.11 g/mol
Exact Mass387.93
IUPAC Namelithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C4HF10NO4S2.Li/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/h15H;/q;+1
InChIKeyNCVGHRMRCAZAJG-UHFFFAOYSA-N
XLogP-1.45
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.11
LogP ≤ 5-1.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide (CID 173034743) is lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is NCVGHRMRCAZAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF10NO4S2.Li/c5-1(6,7)3(11,12)20(16,17)15-21(18,19)4(13,14)2(8,9)10;/h15H;/q;+1.
What are the key properties of lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 388.11 g/mol, XLogP of -1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 173034743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).