lithium 1,1,2,2,2-pentafluoroethyl sulfate

C2F5LiO4S — CID 172763537

IUPAClithium 1,1,2,2,2-pentafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2HF5O4S.Li/c3-1(4,5)2(6,7)11-12(8,9)10;/h(H,8,9,10);/q;+1/p-1
InChIKeyLZXDEJQUOLPZJR-UHFFFAOYSA-M
MW222.02 g/mol
LogP-2.38
Rot. Bonds2

About lithium 1,1,2,2,2-pentafluoroethyl sulfate

lithium 1,1,2,2,2-pentafluoroethyl sulfate (PubChem CID 172763537) has the molecular formula C2F5LiO4S and a molecular weight of 222.02 g/mol. Its IUPAC name is lithium 1,1,2,2,2-pentafluoroethyl sulfate.

Molecular Properties

Compound Namelithium 1,1,2,2,2-pentafluoroethyl sulfate
PubChem CID172763537
Molecular FormulaC2F5LiO4S
Molecular Weight222.02 g/mol
Exact Mass221.96
IUPAC Namelithium 1,1,2,2,2-pentafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2HF5O4S.Li/c3-1(4,5)2(6,7)11-12(8,9)10;/h(H,8,9,10);/q;+1/p-1
InChIKeyLZXDEJQUOLPZJR-UHFFFAOYSA-M
XLogP-2.38
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.02
LogP ≤ 5-2.38
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 1,1,2,2,2-pentafluoroethyl sulfate?
The IUPAC name of lithium 1,1,2,2,2-pentafluoroethyl sulfate (CID 172763537) is lithium 1,1,2,2,2-pentafluoroethyl sulfate.
What is the SMILES notation for lithium 1,1,2,2,2-pentafluoroethyl sulfate?
The canonical SMILES for lithium 1,1,2,2,2-pentafluoroethyl sulfate is O=S(=O)([O-])OC(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,1,2,2,2-pentafluoroethyl sulfate?
The InChIKey is LZXDEJQUOLPZJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HF5O4S.Li/c3-1(4,5)2(6,7)11-12(8,9)10;/h(H,8,9,10);/q;+1/p-1.
What are the key properties of lithium 1,1,2,2,2-pentafluoroethyl sulfate?
lithium 1,1,2,2,2-pentafluoroethyl sulfate has a molecular weight of 222.02 g/mol, XLogP of -2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,1,2,2,2-pentafluoroethyl sulfate is sourced from PubChem (CID 172763537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).