lithium 2-fluoro-3-hydroxypropane-1-sulfonate

C3H6FLiO4S — CID 172749283

IUPAClithium 2-fluoro-3-hydroxypropane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)CO.[Li+]
InChIInChI=1S/C3H7FO4S.Li/c4-3(1-5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1
InChIKeyKDPCXIWMORWVMX-UHFFFAOYSA-M
MW164.08 g/mol
LogP-4.13
Rot. Bonds3

About lithium 2-fluoro-3-hydroxypropane-1-sulfonate

lithium 2-fluoro-3-hydroxypropane-1-sulfonate (PubChem CID 172749283) has the molecular formula C3H6FLiO4S and a molecular weight of 164.08 g/mol. Its IUPAC name is lithium 2-fluoro-3-hydroxypropane-1-sulfonate.

Molecular Properties

Compound Namelithium 2-fluoro-3-hydroxypropane-1-sulfonate
PubChem CID172749283
Molecular FormulaC3H6FLiO4S
Molecular Weight164.08 g/mol
Exact Mass164.01
IUPAC Namelithium 2-fluoro-3-hydroxypropane-1-sulfonate
SMILESO=S(=O)([O-])CC(F)CO.[Li+]
InChIInChI=1S/C3H7FO4S.Li/c4-3(1-5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1
InChIKeyKDPCXIWMORWVMX-UHFFFAOYSA-M
XLogP-4.13
TPSA77.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.08
LogP ≤ 5-4.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium 2-hydroxybutane-1-sulfonate
CID 59092896
potassium 2,3,4,5-tetrafluoropentane-1-sulfonate
CID 134207342
2,3-bis(sulfanyl)butane-1,4-disulfonate
CID 22922961
2,9-difluorononane-1-sulfonate;tetraethylazanium
CID 134207269
potassium 2,3,4,6-tetrafluorohexane-1-sulfonate
CID 134207453
sodium 2,3,6-trifluorohexane-1-sulfonate
CID 134207601
disodium;2-methylpropane-1,3-diol;sulfate
CID 158006830
disodium;propane-1,2-disulfonate
CID 23131501
dilithium;ethane-1,2-diol;sulfate
CID 162076441
2-hydroxyethanesulfonate
CID 18931617
2-hydroxy-3-[tris(2-hydroxyethyl)azaniumyl]propane-1-sulfonate
CID 146485169
lithium 2,3,10-trifluorodecane-1-sulfonate
CID 134207596

Frequently Asked Questions

What is the IUPAC name of lithium 2-fluoro-3-hydroxypropane-1-sulfonate?
The IUPAC name of lithium 2-fluoro-3-hydroxypropane-1-sulfonate (CID 172749283) is lithium 2-fluoro-3-hydroxypropane-1-sulfonate.
What is the SMILES notation for lithium 2-fluoro-3-hydroxypropane-1-sulfonate?
The canonical SMILES for lithium 2-fluoro-3-hydroxypropane-1-sulfonate is O=S(=O)([O-])CC(F)CO.[Li+].
What is the InChIKey of lithium 2-fluoro-3-hydroxypropane-1-sulfonate?
The InChIKey is KDPCXIWMORWVMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7FO4S.Li/c4-3(1-5)2-9(6,7)8;/h3,5H,1-2H2,(H,6,7,8);/q;+1/p-1.
What are the key properties of lithium 2-fluoro-3-hydroxypropane-1-sulfonate?
lithium 2-fluoro-3-hydroxypropane-1-sulfonate has a molecular weight of 164.08 g/mol, XLogP of -4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-fluoro-3-hydroxypropane-1-sulfonate is sourced from PubChem (CID 172749283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).