lithium 2,2,3,3,3-pentafluoropropyl sulfate

C3H2F5LiO4S — CID 118676399

IUPAClithium 2,2,3,3,3-pentafluoropropyl sulfate
SMILESO=S(=O)([O-])OCC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C3H3F5O4S.Li/c4-2(5,3(6,7)8)1-12-13(9,10)11;/h1H2,(H,9,10,11);/q;+1/p-1
InChIKeyCLZMBMVSLZZDSV-UHFFFAOYSA-M
MW236.04 g/mol
LogP-2.34
Rot. Bonds3

About lithium 2,2,3,3,3-pentafluoropropyl sulfate

lithium 2,2,3,3,3-pentafluoropropyl sulfate (PubChem CID 118676399) has the molecular formula C3H2F5LiO4S and a molecular weight of 236.04 g/mol. Its IUPAC name is lithium 2,2,3,3,3-pentafluoropropyl sulfate.

Molecular Properties

Compound Namelithium 2,2,3,3,3-pentafluoropropyl sulfate
PubChem CID118676399
Molecular FormulaC3H2F5LiO4S
Molecular Weight236.04 g/mol
Exact Mass235.98
IUPAC Namelithium 2,2,3,3,3-pentafluoropropyl sulfate
SMILESO=S(=O)([O-])OCC(F)(F)C(F)(F)F.[Li+]
InChIInChI=1S/C3H3F5O4S.Li/c4-2(5,3(6,7)8)1-12-13(9,10)11;/h1H2,(H,9,10,11);/q;+1/p-1
InChIKeyCLZMBMVSLZZDSV-UHFFFAOYSA-M
XLogP-2.34
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.04
LogP ≤ 5-2.34
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 2,2,3,3,3-pentafluoropropyl sulfate?
The IUPAC name of lithium 2,2,3,3,3-pentafluoropropyl sulfate (CID 118676399) is lithium 2,2,3,3,3-pentafluoropropyl sulfate.
What is the SMILES notation for lithium 2,2,3,3,3-pentafluoropropyl sulfate?
The canonical SMILES for lithium 2,2,3,3,3-pentafluoropropyl sulfate is O=S(=O)([O-])OCC(F)(F)C(F)(F)F.[Li+].
What is the InChIKey of lithium 2,2,3,3,3-pentafluoropropyl sulfate?
The InChIKey is CLZMBMVSLZZDSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H3F5O4S.Li/c4-2(5,3(6,7)8)1-12-13(9,10)11;/h1H2,(H,9,10,11);/q;+1/p-1.
What are the key properties of lithium 2,2,3,3,3-pentafluoropropyl sulfate?
lithium 2,2,3,3,3-pentafluoropropyl sulfate has a molecular weight of 236.04 g/mol, XLogP of -2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2,2,3,3,3-pentafluoropropyl sulfate is sourced from PubChem (CID 118676399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).