CID 87357626

C2HF6LiNO4S2 — CID 87357626

IUPAC—
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.[Li]
InChIInChI=1S/C2HF6NO4S2.Li/c3-1(4,5)2(6,7)14(10,11)9-15(8,12)13;/h9H;
InChIKeyJMAGXZAHNZQIBF-UHFFFAOYSA-N
MW288.10 g/mol
LogP-0.11
Rot. Bonds3

About CID 87357626

CID 87357626 (PubChem CID 87357626) has the molecular formula C2HF6LiNO4S2 and a molecular weight of 288.10 g/mol.

Molecular Properties

Compound NameCID 87357626
PubChem CID87357626
Molecular FormulaC2HF6LiNO4S2
Molecular Weight288.10 g/mol
Exact Mass287.94
IUPAC Name—
SMILESO=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.[Li]
InChIInChI=1S/C2HF6NO4S2.Li/c3-1(4,5)2(6,7)14(10,11)9-15(8,12)13;/h9H;
InChIKeyJMAGXZAHNZQIBF-UHFFFAOYSA-N
XLogP-0.11
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 5-0.11
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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Ethanesulfonamide, 1,1,2,2,2-pentafluoro-N-((1,1,2,2,2-pentafluoroethyl)sulfonyl)-, lithium salt (1:1)
CID 12096715
Pentafluoroethylsulfonyl(trifluoromethylsulfonyl)amine
CID 57680057
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl chloride
CID 46837539
N-(1,1,2,2,2-pentafluoroethylsulfonyl)sulfamoyl fluoride
CID 46837540
3-Azanidylsulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfinate
CID 58079131
N-(1,1,2,2,3-pentafluoropropylsulfonyl)sulfamoyl fluoride
CID 58445707
N-(1,1,2-trifluoroethylsulfonyl)sulfamoyl fluoride
CID 58625655
1,1,2,2,3,3-Hexafluoro-3-(trifluoromethylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
CID 58852789
1,1,2,2,3,3-Hexafluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylsulfamoyl)propane-1-sulfonyl fluoride
CID 58852804
1,1,2,2-Tetrafluoro-2-(trifluoromethylsulfonylsulfamoyl)ethanesulfonyl fluoride
CID 58852805
1,1,2,2,3,3,4,4-Octafluoro-4-(trifluoromethylsulfonylsulfamoyl)butane-1-sulfonyl fluoride
CID 58852815

Frequently Asked Questions

What is the IUPAC name of CID 87357626?
The IUPAC name of CID 87357626 (CID 87357626) is not available.
What is the SMILES notation for CID 87357626?
The canonical SMILES for CID 87357626 is O=S(=O)(F)NS(=O)(=O)C(F)(F)C(F)(F)F.[Li].
What is the InChIKey of CID 87357626?
The InChIKey is JMAGXZAHNZQIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF6NO4S2.Li/c3-1(4,5)2(6,7)14(10,11)9-15(8,12)13;/h9H;.
What are the key properties of CID 87357626?
CID 87357626 has a molecular weight of 288.10 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87357626 is sourced from PubChem (CID 87357626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).