lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate

C7H4F11LiO3S — CID 134207102

IUPAClithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C7H5F11O3S.Li/c8-1(3(10)11)2(9)5(13,14)7(17,18)6(15,16)4(12)22(19,20)21;/h1-4H,(H,19,20,21);/q;+1/p-1
InChIKeySWQQDELZRACEKX-UHFFFAOYSA-M
MW384.09 g/mol
LogP-0.32
Rot. Bonds7

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

lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate (PubChem CID 134207102) has the molecular formula C7H4F11LiO3S and a molecular weight of 384.09 g/mol. Its IUPAC name is lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate.

Molecular Properties

Compound Namelithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
PubChem CID134207102
Molecular FormulaC7H4F11LiO3S
Molecular Weight384.09 g/mol
Exact Mass383.99
IUPAC Namelithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate
SMILESO=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.[Li+]
InChIInChI=1S/C7H5F11O3S.Li/c8-1(3(10)11)2(9)5(13,14)7(17,18)6(15,16)4(12)22(19,20)21;/h1-4H,(H,19,20,21);/q;+1/p-1
InChIKeySWQQDELZRACEKX-UHFFFAOYSA-M
XLogP-0.32
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.09
LogP ≤ 5-0.32
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 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate with MolForge

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Related Compounds

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
potassium 1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate
CID 134206791
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
1,2,2,3,3,4,4,5,5,6,6,7,7,8,9,10,10-heptadecafluorodecane-1-sulfonate;tetraethylazanium
CID 134207025
lithium 1,2,2,3,3,4,5,6,7,7-decafluoroheptane-1-sulfonate
CID 134207484
lithium 1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate
CID 134206668
1,2,2,3,3,4,4,5,6,7,8,9,10,11,11-pentadecafluoroundecane-1-sulfonate;tetraethylazanium
CID 134207049
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,7-tetradecafluoroheptane-1-sulfonate
CID 134206654
potassium 1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctane-1-sulfonate
CID 134207418
lithium 1,2,2,3,4,5,6,6-octafluorohexane-1-sulfonate
CID 134207024
1,2,2,3,3,4,4,5,5,6,6,7,8,8-tetradecafluorooctane-1-sulfonate;tetraethylazanium
CID 134206597

Frequently Asked Questions

What is the IUPAC name of lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate?
The IUPAC name of lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate (CID 134207102) is lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate.
What is the SMILES notation for lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate?
The canonical SMILES for lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate is O=S(=O)([O-])C(F)C(F)(F)C(F)(F)C(F)(F)C(F)C(F)C(F)F.[Li+].
What is the InChIKey of lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate?
The InChIKey is SWQQDELZRACEKX-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5F11O3S.Li/c8-1(3(10)11)2(9)5(13,14)7(17,18)6(15,16)4(12)22(19,20)21;/h1-4H,(H,19,20,21);/q;+1/p-1.
What are the key properties of lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate?
lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate has a molecular weight of 384.09 g/mol, XLogP of -0.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,2,3,3,4,4,5,6,7,7-undecafluoroheptane-1-sulfonate is sourced from PubChem (CID 134207102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).