lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride

C6HF13LiNO4S — CID 173339181

IUPAClithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.[H-].[Li+]
InChIInChI=1S/C6F13NO4S.Li.H/c7-1(8)4(13,14)23-5(15,16)2(9,10)20(1)3(11,12)6(17,18)25(21,22)24-19;;/q;+1;-1
InChIKeyHWDHIORNEWXKEN-UHFFFAOYSA-N
MW437.06 g/mol
LogP0.22
Rot. Bonds4

About lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride

lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride (PubChem CID 173339181) has the molecular formula C6HF13LiNO4S and a molecular weight of 437.06 g/mol. Its IUPAC name is lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride.

Molecular Properties

Compound Namelithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
PubChem CID173339181
Molecular FormulaC6HF13LiNO4S
Molecular Weight437.06 g/mol
Exact Mass436.96
IUPAC Namelithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride
SMILESO=S(=O)(OF)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.[H-].[Li+]
InChIInChI=1S/C6F13NO4S.Li.H/c7-1(8)4(13,14)23-5(15,16)2(9,10)20(1)3(11,12)6(17,18)25(21,22)24-19;;/q;+1;-1
InChIKeyHWDHIORNEWXKEN-UHFFFAOYSA-N
XLogP0.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.06
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride?
The IUPAC name of lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride (CID 173339181) is lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride.
What is the SMILES notation for lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride?
The canonical SMILES for lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride is O=S(=O)(OF)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.[H-].[Li+].
What is the InChIKey of lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride?
The InChIKey is HWDHIORNEWXKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13NO4S.Li.H/c7-1(8)4(13,14)23-5(15,16)2(9,10)20(1)3(11,12)6(17,18)25(21,22)24-19;;/q;+1;-1.
What are the key properties of lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride?
lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride has a molecular weight of 437.06 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;fluoro 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonate;hydride is sourced from PubChem (CID 173339181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).