lithium 1,1,2-trifluorohexane-1-sulfonate

C6H10F3LiO3S — CID 122481658

IUPAClithium 1,1,2-trifluorohexane-1-sulfonate
SMILESCCCCC(F)C(F)(F)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C6H11F3O3S.Li/c1-2-3-4-5(7)6(8,9)13(10,11)12;/h5H,2-4H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyCULMGXQIHJYHDW-UHFFFAOYSA-M
MW226.14 g/mol
LogP-1.34
Rot. Bonds5

About lithium 1,1,2-trifluorohexane-1-sulfonate

lithium 1,1,2-trifluorohexane-1-sulfonate (PubChem CID 122481658) has the molecular formula C6H10F3LiO3S and a molecular weight of 226.14 g/mol. Its IUPAC name is lithium 1,1,2-trifluorohexane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,1,2-trifluorohexane-1-sulfonate
PubChem CID122481658
Molecular FormulaC6H10F3LiO3S
Molecular Weight226.14 g/mol
Exact Mass226.05
IUPAC Namelithium 1,1,2-trifluorohexane-1-sulfonate
SMILESCCCCC(F)C(F)(F)S(=O)(=O)[O-].[Li+]
InChIInChI=1S/C6H11F3O3S.Li/c1-2-3-4-5(7)6(8,9)13(10,11)12;/h5H,2-4H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeyCULMGXQIHJYHDW-UHFFFAOYSA-M
XLogP-1.34
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.14
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 1,1,2-trifluoroheptane-1-sulfonate
CID 122481633
sodium 1,1,2-trifluorododecane-1-sulfonate
CID 122480987
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
1,1,2-trifluoro-4-methoxybutane-1-sulfonate
CID 58100672
sulfanium 1,1,2-trifluoro-4-hydroxybutane-1-sulfonate
CID 160759853
1,1,2,2-tetrafluoroethanesulfonate;tributylphosphanium
CID 162068588
lithium 1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluorododecane-1-sulfonate
CID 122481588
tributyl(octyl)phosphanium;trifluoromethanesulfonate
CID 87573485
tributyl(dodecyl)phosphanium;trifluoromethanesulfonate
CID 87119491
tetraethylazanium;1,1,2,2,3,3,4,4,5,5,6-undecafluorodecane-1-sulfonate
CID 122481847
1,1,2-trifluorohexan-1-ol
CID 142765310

Frequently Asked Questions

What is the IUPAC name of lithium 1,1,2-trifluorohexane-1-sulfonate?
The IUPAC name of lithium 1,1,2-trifluorohexane-1-sulfonate (CID 122481658) is lithium 1,1,2-trifluorohexane-1-sulfonate.
What is the SMILES notation for lithium 1,1,2-trifluorohexane-1-sulfonate?
The canonical SMILES for lithium 1,1,2-trifluorohexane-1-sulfonate is CCCCC(F)C(F)(F)S(=O)(=O)[O-].[Li+].
What is the InChIKey of lithium 1,1,2-trifluorohexane-1-sulfonate?
The InChIKey is CULMGXQIHJYHDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11F3O3S.Li/c1-2-3-4-5(7)6(8,9)13(10,11)12;/h5H,2-4H2,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of lithium 1,1,2-trifluorohexane-1-sulfonate?
lithium 1,1,2-trifluorohexane-1-sulfonate has a molecular weight of 226.14 g/mol, XLogP of -1.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2-trifluorohexane-1-sulfonate is sourced from PubChem (CID 122481658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).