lithium 2,2,3,3-tetrafluoropropyl sulfate

C3H3F4LiO4S — CID 118676394

IUPAClithium 2,2,3,3-tetrafluoropropyl sulfate
SMILESO=S(=O)([O-])OCC(F)(F)C(F)F.[Li+]
InChIInChI=1S/C3H4F4O4S.Li/c4-2(5)3(6,7)1-11-12(8,9)10;/h2H,1H2,(H,8,9,10);/q;+1/p-1
InChIKeyPRIXCMHFDBDTHL-UHFFFAOYSA-M
MW218.05 g/mol
LogP-2.63
Rot. Bonds4

About lithium 2,2,3,3-tetrafluoropropyl sulfate

lithium 2,2,3,3-tetrafluoropropyl sulfate (PubChem CID 118676394) has the molecular formula C3H3F4LiO4S and a molecular weight of 218.05 g/mol. Its IUPAC name is lithium 2,2,3,3-tetrafluoropropyl sulfate.

Molecular Properties

Compound Namelithium 2,2,3,3-tetrafluoropropyl sulfate
PubChem CID118676394
Molecular FormulaC3H3F4LiO4S
Molecular Weight218.05 g/mol
Exact Mass217.98
IUPAC Namelithium 2,2,3,3-tetrafluoropropyl sulfate
SMILESO=S(=O)([O-])OCC(F)(F)C(F)F.[Li+]
InChIInChI=1S/C3H4F4O4S.Li/c4-2(5)3(6,7)1-11-12(8,9)10;/h2H,1H2,(H,8,9,10);/q;+1/p-1
InChIKeyPRIXCMHFDBDTHL-UHFFFAOYSA-M
XLogP-2.63
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.05
LogP ≤ 5-2.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium 2,2,3,3-tetrafluoropropyl sulfate?
The IUPAC name of lithium 2,2,3,3-tetrafluoropropyl sulfate (CID 118676394) is lithium 2,2,3,3-tetrafluoropropyl sulfate.
What is the SMILES notation for lithium 2,2,3,3-tetrafluoropropyl sulfate?
The canonical SMILES for lithium 2,2,3,3-tetrafluoropropyl sulfate is O=S(=O)([O-])OCC(F)(F)C(F)F.[Li+].
What is the InChIKey of lithium 2,2,3,3-tetrafluoropropyl sulfate?
The InChIKey is PRIXCMHFDBDTHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4F4O4S.Li/c4-2(5)3(6,7)1-11-12(8,9)10;/h2H,1H2,(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium 2,2,3,3-tetrafluoropropyl sulfate?
lithium 2,2,3,3-tetrafluoropropyl sulfate has a molecular weight of 218.05 g/mol, XLogP of -2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2,3,3-tetrafluoropropyl sulfate is sourced from PubChem (CID 118676394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).