lithium 1,2,2,2-tetrafluoroethyl sulfate

C2HF4LiO4S — CID 141013517

IUPAClithium 1,2,2,2-tetrafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2H2F4O4S.Li/c3-1(2(4,5)6)10-11(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1
InChIKeyHHMXEKJLMAWURD-UHFFFAOYSA-M
MW204.03 g/mol
LogP-2.67
Rot. Bonds2

About lithium 1,2,2,2-tetrafluoroethyl sulfate

lithium 1,2,2,2-tetrafluoroethyl sulfate (PubChem CID 141013517) has the molecular formula C2HF4LiO4S and a molecular weight of 204.03 g/mol. Its IUPAC name is lithium 1,2,2,2-tetrafluoroethyl sulfate.

Molecular Properties

Compound Namelithium 1,2,2,2-tetrafluoroethyl sulfate
PubChem CID141013517
Molecular FormulaC2HF4LiO4S
Molecular Weight204.03 g/mol
Exact Mass203.97
IUPAC Namelithium 1,2,2,2-tetrafluoroethyl sulfate
SMILESO=S(=O)([O-])OC(F)C(F)(F)F.[Li+]
InChIInChI=1S/C2H2F4O4S.Li/c3-1(2(4,5)6)10-11(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1
InChIKeyHHMXEKJLMAWURD-UHFFFAOYSA-M
XLogP-2.67
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 5-2.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 1,2,2,2-tetrafluoroethyl sulfate?
The IUPAC name of lithium 1,2,2,2-tetrafluoroethyl sulfate (CID 141013517) is lithium 1,2,2,2-tetrafluoroethyl sulfate.
What is the SMILES notation for lithium 1,2,2,2-tetrafluoroethyl sulfate?
The canonical SMILES for lithium 1,2,2,2-tetrafluoroethyl sulfate is O=S(=O)([O-])OC(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 1,2,2,2-tetrafluoroethyl sulfate?
The InChIKey is HHMXEKJLMAWURD-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H2F4O4S.Li/c3-1(2(4,5)6)10-11(7,8)9;/h1H,(H,7,8,9);/q;+1/p-1.
What are the key properties of lithium 1,2,2,2-tetrafluoroethyl sulfate?
lithium 1,2,2,2-tetrafluoroethyl sulfate has a molecular weight of 204.03 g/mol, XLogP of -2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2,2,2-tetrafluoroethyl sulfate is sourced from PubChem (CID 141013517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).