lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide

C6H4F10LiNO6S2 — CID 175693974

IUPAClithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6H4F10NO6S2.Li/c7-3(8,5(11,12)13)1-22-24(18,19)17-25(20,21)23-2-4(9,10)6(14,15)16;/h1-2H2;/q-1;+1
InChIKeyOZJAZAPXXVTMMK-UHFFFAOYSA-N
MW447.15 g/mol
LogP-0.72
Rot. Bonds8

About lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide

lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide (PubChem CID 175693974) has the molecular formula C6H4F10LiNO6S2 and a molecular weight of 447.15 g/mol. Its IUPAC name is lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide.

Molecular Properties

Compound Namelithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide
PubChem CID175693974
Molecular FormulaC6H4F10LiNO6S2
Molecular Weight447.15 g/mol
Exact Mass446.95
IUPAC Namelithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide
SMILESO=S(=O)([N-]S(=O)(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C6H4F10NO6S2.Li/c7-3(8,5(11,12)13)1-22-24(18,19)17-25(20,21)23-2-4(9,10)6(14,15)16;/h1-2H2;/q-1;+1
InChIKeyOZJAZAPXXVTMMK-UHFFFAOYSA-N
XLogP-0.72
TPSA100.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.15
LogP ≤ 5-0.72
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 lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide?
The IUPAC name of lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide (CID 175693974) is lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide.
What is the SMILES notation for lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide?
The canonical SMILES for lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide is O=S(=O)([N-]S(=O)(=O)OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide?
The InChIKey is OZJAZAPXXVTMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10NO6S2.Li/c7-3(8,5(11,12)13)1-22-24(18,19)17-25(20,21)23-2-4(9,10)6(14,15)16;/h1-2H2;/q-1;+1.
What are the key properties of lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide?
lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide has a molecular weight of 447.15 g/mol, XLogP of -0.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium bis(2,2,3,3,3-pentafluoropropoxysulfonyl)azanide is sourced from PubChem (CID 175693974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).