lithium 2,3,10-trifluorodecane-1-sulfonate

C10H18F3LiO3S — CID 134207596

IUPAClithium 2,3,10-trifluorodecane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)C(F)CCCCCCCF.[Li+]
InChIInChI=1S/C10H19F3O3S.Li/c11-7-5-3-1-2-4-6-9(12)10(13)8-17(14,15)16;/h9-10H,1-8H2,(H,14,15,16);/q;+1/p-1
InChIKeyIXEQLTSLVOXZNY-UHFFFAOYSA-M
MW282.25 g/mol
LogP-0.48
Rot. Bonds10

About lithium 2,3,10-trifluorodecane-1-sulfonate

lithium 2,3,10-trifluorodecane-1-sulfonate (PubChem CID 134207596) has the molecular formula C10H18F3LiO3S and a molecular weight of 282.25 g/mol. Its IUPAC name is lithium 2,3,10-trifluorodecane-1-sulfonate.

Molecular Properties

Compound Namelithium 2,3,10-trifluorodecane-1-sulfonate
PubChem CID134207596
Molecular FormulaC10H18F3LiO3S
Molecular Weight282.25 g/mol
Exact Mass282.11
IUPAC Namelithium 2,3,10-trifluorodecane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)C(F)CCCCCCCF.[Li+]
InChIInChI=1S/C10H19F3O3S.Li/c11-7-5-3-1-2-4-6-9(12)10(13)8-17(14,15)16;/h9-10H,1-8H2,(H,14,15,16);/q;+1/p-1
InChIKeyIXEQLTSLVOXZNY-UHFFFAOYSA-M
XLogP-0.48
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601
tetraethylazanium;2,3,12-trifluorododecane-1-sulfonate
CID 134207029
potassium 2,3,4,5,12-pentafluorododecane-1-sulfonate
CID 134206749
potassium 2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134207060
sodium 2,3,4,5,9-pentafluorononane-1-sulfonate
CID 134206972
2,3,11-trifluoroundecane-1-sulfonic acid
CID 134206558
tetraethylazanium;2,3,4,10-tetrafluorodecane-1-sulfonate
CID 134206650
2,9-difluorononane-1-sulfonate;tetraethylazanium
CID 134207269
2,3,4,5,6,7,8,9,12-nonafluorododecane-1-sulfonate;tetraethylazanium
CID 134206846
prop-2-en-1-amine;2,3,11-trifluoroundecane-1-sulfonic acid
CID 175164569
1,2,8-trifluorooctane-1-sulfonic acid
CID 87485264
potassium 2,3,4,6-tetrafluorohexane-1-sulfonate
CID 134207453

Frequently Asked Questions

What is the IUPAC name of lithium 2,3,10-trifluorodecane-1-sulfonate?
The IUPAC name of lithium 2,3,10-trifluorodecane-1-sulfonate (CID 134207596) is lithium 2,3,10-trifluorodecane-1-sulfonate.
What is the SMILES notation for lithium 2,3,10-trifluorodecane-1-sulfonate?
The canonical SMILES for lithium 2,3,10-trifluorodecane-1-sulfonate is O=S(=O)([O-])CC(F)C(F)CCCCCCCF.[Li+].
What is the InChIKey of lithium 2,3,10-trifluorodecane-1-sulfonate?
The InChIKey is IXEQLTSLVOXZNY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H19F3O3S.Li/c11-7-5-3-1-2-4-6-9(12)10(13)8-17(14,15)16;/h9-10H,1-8H2,(H,14,15,16);/q;+1/p-1.
What are the key properties of lithium 2,3,10-trifluorodecane-1-sulfonate?
lithium 2,3,10-trifluorodecane-1-sulfonate has a molecular weight of 282.25 g/mol, XLogP of -0.48, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,3,10-trifluorodecane-1-sulfonate is sourced from PubChem (CID 134207596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).