2-fluoroethyl prop-2-ene-1-sulfonate

C5H9FO3S — CID 142698092

IUPAC2-fluoroethyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCF
InChIInChI=1S/C5H9FO3S/c1-2-5-10(7,8)9-4-3-6/h2H,1,3-5H2
InChIKeyCGMXSUQNKLJDEO-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.49
Rot. Bonds5

About 2-fluoroethyl prop-2-ene-1-sulfonate

2-fluoroethyl prop-2-ene-1-sulfonate (PubChem CID 142698092) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-fluoroethyl prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name2-fluoroethyl prop-2-ene-1-sulfonate
PubChem CID142698092
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name2-fluoroethyl prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OCCF
InChIInChI=1S/C5H9FO3S/c1-2-5-10(7,8)9-4-3-6/h2H,1,3-5H2
InChIKeyCGMXSUQNKLJDEO-UHFFFAOYSA-N
XLogP0.49
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl prop-2-ene-1-sulfonate?
The IUPAC name of 2-fluoroethyl prop-2-ene-1-sulfonate (CID 142698092) is 2-fluoroethyl prop-2-ene-1-sulfonate.
What is the SMILES notation for 2-fluoroethyl prop-2-ene-1-sulfonate?
The canonical SMILES for 2-fluoroethyl prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OCCF.
What is the InChIKey of 2-fluoroethyl prop-2-ene-1-sulfonate?
The InChIKey is CGMXSUQNKLJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c1-2-5-10(7,8)9-4-3-6/h2H,1,3-5H2.
What are the key properties of 2-fluoroethyl prop-2-ene-1-sulfonate?
2-fluoroethyl prop-2-ene-1-sulfonate has a molecular weight of 168.19 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl prop-2-ene-1-sulfonate is sourced from PubChem (CID 142698092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).