lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate

C4H4F5LiO3S — CID 134206696

IUPAClithium 1,2,3,4,4-pentafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C4H5F5O3S.Li/c5-1(3(7)8)2(6)4(9)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChIKeyWZZOBBYPVLJOHU-UHFFFAOYSA-M
MW234.07 g/mol
LogP-2.23
Rot. Bonds4

About lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate

lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate (PubChem CID 134206696) has the molecular formula C4H4F5LiO3S and a molecular weight of 234.07 g/mol. Its IUPAC name is lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,2,3,4,4-pentafluorobutane-1-sulfonate
PubChem CID134206696
Molecular FormulaC4H4F5LiO3S
Molecular Weight234.07 g/mol
Exact Mass234.00
IUPAC Namelithium 1,2,3,4,4-pentafluorobutane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C4H5F5O3S.Li/c5-1(3(7)8)2(6)4(9)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1
InChIKeyWZZOBBYPVLJOHU-UHFFFAOYSA-M
XLogP-2.23
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.07
LogP ≤ 5-2.23
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 1,2,3,4,5,6,7,7-octafluoroheptane-1-sulfonate
CID 134206359
lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134207024
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
CID 134207484
potassium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134206944
potassium 1,2,2,3,4,5,6,7,8,8-decafluorooctane-1-sulfonate
CID 134207096
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 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
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 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,11,12,12-henicosafluorododecane-1-sulfonate
CID 134206795
2,3,4,5,6,7,8,8-octafluorooctane-1-sulfonate;tetraethylazanium
CID 134207072
lithium 1,2,2,2-tetrafluoroethanesulfonate
CID 174226191

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate?
The IUPAC name of lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate (CID 134206696) is lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate.
What is the SMILES notation for lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate?
The canonical SMILES for lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate is O=S(=O)([O-])C(F)C(F)C(F)C(F)F.[Li+].
What is the InChIKey of lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate?
The InChIKey is WZZOBBYPVLJOHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H5F5O3S.Li/c5-1(3(7)8)2(6)4(9)13(10,11)12;/h1-4H,(H,10,11,12);/q;+1/p-1.
What are the key properties of lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate?
lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate has a molecular weight of 234.07 g/mol, XLogP of -2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,3,4,4-pentafluorobutane-1-sulfonate is sourced from PubChem (CID 134206696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).