lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate

C8H3F14LiO3S — CID 134206668

IUPAClithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C8H4F14O3S.Li/c9-1(2(10)11)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(12)26(23,24)25;/h1-3H,(H,23,24,25);/q;+1/p-1
InChIKeyOWGHCARVDNKDHU-UHFFFAOYSA-M
MW452.09 g/mol
LogP0.61
Rot. Bonds8

About lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate

lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate (PubChem CID 134206668) has the molecular formula C8H3F14LiO3S and a molecular weight of 452.09 g/mol. Its IUPAC name is lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
PubChem CID134206668
Molecular FormulaC8H3F14LiO3S
Molecular Weight452.09 g/mol
Exact Mass451.97
IUPAC Namelithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C8H4F14O3S.Li/c9-1(2(10)11)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(12)26(23,24)25;/h1-3H,(H,23,24,25);/q;+1/p-1
InChIKeyOWGHCARVDNKDHU-UHFFFAOYSA-M
XLogP0.61
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.09
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate with MolForge

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Related Compounds

1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate;tetraethylazanium
CID 134206597
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795
lithium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,11,12,12-icosafluorododecane-1-sulfonate
CID 134207622
potassium 1,2,2,3,3,4,4,5,5,6,6,7,8,9,10,10-hexadecafluorodecane-1-sulfonate
CID 134206568
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
CID 134207102
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 134207418
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane-1-sulfonate
CID 134206654
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecane-1-sulfonate;tetraethylazanium
CID 134207025
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12-tricosafluorododecane-1-sulfonyl fluoride
CID 89466589
potassium 1,2,2,3,4,4-hexafluorobutane-1-sulfonate
CID 134206422
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
CID 134207484

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate?
The IUPAC name of lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate (CID 134206668) is lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate.
What is the SMILES notation for lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate?
The canonical SMILES for lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate is O=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)F.[Li+].
What is the InChIKey of lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate?
The InChIKey is OWGHCARVDNKDHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H4F14O3S.Li/c9-1(2(10)11)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(12)26(23,24)25;/h1-3H,(H,23,24,25);/q;+1/p-1.
What are the key properties of lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate?
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate has a molecular weight of 452.09 g/mol, XLogP of 0.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate is sourced from PubChem (CID 134206668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).