lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide

C4H3F7LiNO2S — CID 20665110

IUPAClithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide
SMILES[Li+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H3F7NO2S.Li/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14;/h1H2,(H-,12,13,14);/q-1;+1
InChIKeyLSPQLGBDWWXQBG-UHFFFAOYSA-N
MW269.07 g/mol
LogP-0.79
Rot. Bonds4

About lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide

lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide (PubChem CID 20665110) has the molecular formula C4H3F7LiNO2S and a molecular weight of 269.07 g/mol. Its IUPAC name is lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide.

Molecular Properties

Compound Namelithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide
PubChem CID20665110
Molecular FormulaC4H3F7LiNO2S
Molecular Weight269.07 g/mol
Exact Mass268.99
IUPAC Namelithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide
SMILES[Li+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)CF
InChIInChI=1S/C4H3F7NO2S.Li/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14;/h1H2,(H-,12,13,14);/q-1;+1
InChIKeyLSPQLGBDWWXQBG-UHFFFAOYSA-N
XLogP-0.79
TPSA57.94 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.07
LogP ≤ 5-0.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Perfluorobutane sulfonamide
CID 10958205
1,1,1,3,3,3-Hexafluoropropane-2-sulfonamide
CID 165867610
1,1,2,2,3-pentafluoro-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 57641964
1,1,2,2,3-Pentafluoropropylsulfonyl(trifluoromethylsulfonyl)azanide
CID 59465076
1,1,2,2-tetrafluoro-N-(1,1,2,2-tetrafluoroethylsulfonyl)ethanesulfonamide
CID 59804614
1,1,2,2,3,3-Hexafluoro-1-(sulfinatosulfamoyl)propane
CID 86202898
CID 87399928
CID 87399928
2,3,3,4,4,5,5,5-Octafluoropentane-2-sulfonamide
CID 87438581
N,1,1,3,3,3-hexafluoropropane-1-sulfonamide
CID 87542493
3,3,4,4,4-Pentafluorobutane-1-sulfonamide
CID 87890636
Lithium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;1,1,2,2-tetrafluoroethanesulfonate
CID 88192610
1,1,2,2-Tetrafluoroethane-1-sulfonamide
CID 88243461

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide?
The IUPAC name of lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide (CID 20665110) is lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide.
What is the SMILES notation for lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide?
The canonical SMILES for lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide is [Li+].[NH-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)CF.
What is the InChIKey of lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide?
The InChIKey is LSPQLGBDWWXQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7NO2S.Li/c5-1-2(6,7)3(8,9)4(10,11)15(12,13)14;/h1H2,(H-,12,13,14);/q-1;+1.
What are the key properties of lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide?
lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide has a molecular weight of 269.07 g/mol, XLogP of -0.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,3,3,4-heptafluorobutylsulfonylazanide is sourced from PubChem (CID 20665110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).