fluoro prop-2-ene-1-sulfonate

C3H5FO3S — CID 87084335

IUPACfluoro prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OF
InChIInChI=1S/C3H5FO3S/c1-2-3-8(5,6)7-4/h2H,1,3H2
InChIKeyGIGXYTMXZSTERQ-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.40
Rot. Bonds3

About fluoro prop-2-ene-1-sulfonate

fluoro prop-2-ene-1-sulfonate (PubChem CID 87084335) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is fluoro prop-2-ene-1-sulfonate.

Molecular Properties

Compound Namefluoro prop-2-ene-1-sulfonate
PubChem CID87084335
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Namefluoro prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OF
InChIInChI=1S/C3H5FO3S/c1-2-3-8(5,6)7-4/h2H,1,3H2
InChIKeyGIGXYTMXZSTERQ-UHFFFAOYSA-N
XLogP0.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze fluoro prop-2-ene-1-sulfonate 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 fluoro prop-2-ene-1-sulfonate?
The IUPAC name of fluoro prop-2-ene-1-sulfonate (CID 87084335) is fluoro prop-2-ene-1-sulfonate.
What is the SMILES notation for fluoro prop-2-ene-1-sulfonate?
The canonical SMILES for fluoro prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OF.
What is the InChIKey of fluoro prop-2-ene-1-sulfonate?
The InChIKey is GIGXYTMXZSTERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S/c1-2-3-8(5,6)7-4/h2H,1,3H2.
What are the key properties of fluoro prop-2-ene-1-sulfonate?
fluoro prop-2-ene-1-sulfonate has a molecular weight of 140.13 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro prop-2-ene-1-sulfonate is sourced from PubChem (CID 87084335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).