CID 131845292

C8H3F16LiNO6S2 — CID 131845292

IUPAC—
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)F.[Li]
InChIInChI=1S/C8H3F16NO6S2.Li/c9-1(10)3(13,14)30-5(17,18)7(21,22)32(26,27)25-33(28,29)8(23,24)6(19,20)31-4(15,16)2(11)12;/h1-2,25H;
InChIKeyFTKRMRPSFUQQIV-UHFFFAOYSA-N
MW584.16 g/mol
LogP2.97
Rot. Bonds12

About CID 131845292

CID 131845292 (PubChem CID 131845292) has the molecular formula C8H3F16LiNO6S2 and a molecular weight of 584.16 g/mol.

Molecular Properties

Compound NameCID 131845292
PubChem CID131845292
Molecular FormulaC8H3F16LiNO6S2
Molecular Weight584.16 g/mol
Exact Mass583.93
IUPAC Name—
SMILESO=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)F.[Li]
InChIInChI=1S/C8H3F16NO6S2.Li/c9-1(10)3(13,14)30-5(17,18)7(21,22)32(26,27)25-33(28,29)8(23,24)6(19,20)31-4(15,16)2(11)12;/h1-2,25H;
InChIKeyFTKRMRPSFUQQIV-UHFFFAOYSA-N
XLogP2.97
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.16
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonamide
CID 10924456
1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)-N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylethanesulfonamide
CID 50851123
1,1,2,2-tetrafluoro-N-sulfinyl-2-(1,1,2,2-tetrafluoroethoxy)ethanesulfonamide
CID 101670712
Fluorosulfonyl-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylazanide
CID 102096918
N-[1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl]sulfonylsulfamoyl fluoride
CID 102096919
Bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(1,2,2,2-tetrafluoroethoxy)ethanesulfonate
CID 157097160
Lithium bis((1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethyl)sulfonyl)amide
CID 177699969

Frequently Asked Questions

What is the IUPAC name of CID 131845292?
The IUPAC name of CID 131845292 (CID 131845292) is not available.
What is the SMILES notation for CID 131845292?
The canonical SMILES for CID 131845292 is O=S(=O)(NS(=O)(=O)C(F)(F)C(F)(F)OC(F)(F)C(F)F)C(F)(F)C(F)(F)OC(F)(F)C(F)F.[Li].
What is the InChIKey of CID 131845292?
The InChIKey is FTKRMRPSFUQQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F16NO6S2.Li/c9-1(10)3(13,14)30-5(17,18)7(21,22)32(26,27)25-33(28,29)8(23,24)6(19,20)31-4(15,16)2(11)12;/h1-2,25H;.
What are the key properties of CID 131845292?
CID 131845292 has a molecular weight of 584.16 g/mol, XLogP of 2.97, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131845292 is sourced from PubChem (CID 131845292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).