lithium 3-fluoroprop-2-enyl sulfate

C3H4FLiO4S — CID 175344174

IUPAClithium 3-fluoroprop-2-enyl sulfate
SMILESO=S(=O)([O-])OCC=CF.[Li+]
InChIInChI=1S/C3H5FO4S.Li/c4-2-1-3-8-9(5,6)7;/h1-2H,3H2,(H,5,6,7);/q;+1/p-1
InChIKeyCPSOTAKDUUEKOW-UHFFFAOYSA-M
MW162.07 g/mol
LogP-3.05
Rot. Bonds3

About lithium 3-fluoroprop-2-enyl sulfate

lithium 3-fluoroprop-2-enyl sulfate (PubChem CID 175344174) has the molecular formula C3H4FLiO4S and a molecular weight of 162.07 g/mol. Its IUPAC name is lithium 3-fluoroprop-2-enyl sulfate.

Molecular Properties

Compound Namelithium 3-fluoroprop-2-enyl sulfate
PubChem CID175344174
Molecular FormulaC3H4FLiO4S
Molecular Weight162.07 g/mol
Exact Mass162.00
IUPAC Namelithium 3-fluoroprop-2-enyl sulfate
SMILESO=S(=O)([O-])OCC=CF.[Li+]
InChIInChI=1S/C3H5FO4S.Li/c4-2-1-3-8-9(5,6)7;/h1-2H,3H2,(H,5,6,7);/q;+1/p-1
InChIKeyCPSOTAKDUUEKOW-UHFFFAOYSA-M
XLogP-3.05
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.07
LogP ≤ 5-3.05
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'}

Analyze lithium 3-fluoroprop-2-enyl sulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium 3-fluoroprop-2-enyl sulfate?
The IUPAC name of lithium 3-fluoroprop-2-enyl sulfate (CID 175344174) is lithium 3-fluoroprop-2-enyl sulfate.
What is the SMILES notation for lithium 3-fluoroprop-2-enyl sulfate?
The canonical SMILES for lithium 3-fluoroprop-2-enyl sulfate is O=S(=O)([O-])OCC=CF.[Li+].
What is the InChIKey of lithium 3-fluoroprop-2-enyl sulfate?
The InChIKey is CPSOTAKDUUEKOW-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO4S.Li/c4-2-1-3-8-9(5,6)7;/h1-2H,3H2,(H,5,6,7);/q;+1/p-1.
What are the key properties of lithium 3-fluoroprop-2-enyl sulfate?
lithium 3-fluoroprop-2-enyl sulfate has a molecular weight of 162.07 g/mol, XLogP of -3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-fluoroprop-2-enyl sulfate is sourced from PubChem (CID 175344174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).