lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride

C4H2F10LiNO4S2 — CID 173065496

IUPAClithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C4HF10NO4S2.Li.H/c5-1(6,3(9,10)11)2(7,8)4(12,13)20(16,17)15-21(14,18)19;;/h15H;;/q;+1;-1
InChIKeyKHEIVVIJWQQRFO-UHFFFAOYSA-N
MW389.12 g/mol
LogP-1.34
Rot. Bonds5

About lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride

lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride (PubChem CID 173065496) has the molecular formula C4H2F10LiNO4S2 and a molecular weight of 389.12 g/mol. Its IUPAC name is lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride.

Molecular Properties

Compound Namelithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
PubChem CID173065496
Molecular FormulaC4H2F10LiNO4S2
Molecular Weight389.12 g/mol
Exact Mass388.94
IUPAC Namelithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Li+]
InChIInChI=1S/C4HF10NO4S2.Li.H/c5-1(6,3(9,10)11)2(7,8)4(12,13)20(16,17)15-21(14,18)19;;/h15H;;/q;+1;-1
InChIKeyKHEIVVIJWQQRFO-UHFFFAOYSA-N
XLogP-1.34
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 5-1.34
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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CID 173199731
lithium;hydride;bis(1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide)
CID 173065488
1,1,2,2,3,3,4,4-octafluoro-4-(trifluoromethylsulfonylsulfamoyl)butane-1-sulfonyl fluoride
CID 58852815
lithium 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 173034743
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonohydrazide
CID 155317025
2,3,4,5,6-pentafluoro-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)benzenesulfonamide
CID 88939934
lithium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CID 173020254
N,N-diethylethanamine;N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 118659646
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride;pyrrolidine
CID 118659621
1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylphosphane
CID 152575055
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluoro-N-(2-hydroxyethyl)decane-1-sulfonamide
CID 57144434
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyprop-2-enyl)octane-1-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride?
The IUPAC name of lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride (CID 173065496) is lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride.
What is the SMILES notation for lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride?
The canonical SMILES for lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride is O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[H-].[Li+].
What is the InChIKey of lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride?
The InChIKey is KHEIVVIJWQQRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF10NO4S2.Li.H/c5-1(6,3(9,10)11)2(7,8)4(12,13)20(16,17)15-21(14,18)19;;/h15H;;/q;+1;-1.
What are the key properties of lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride?
lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride has a molecular weight of 389.12 g/mol, XLogP of -1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;hydride;N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)sulfamoyl fluoride is sourced from PubChem (CID 173065496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).