(E)-3-fluoroprop-2-ene-1-sulfonic acid

C3H5FO3S — CID 87059859

IUPAC(E)-3-fluoroprop-2-ene-1-sulfonic acid
SMILESO=S(=O)(O)C/C=C/F
InChIInChI=1S/C3H5FO3S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H,5,6,7)/b2-1+
InChIKeyAWHMUJOIKNKMDA-OWOJBTEDSA-N
MW140.13 g/mol
LogP0.36
Rot. Bonds2

About (E)-3-fluoroprop-2-ene-1-sulfonic acid

(E)-3-fluoroprop-2-ene-1-sulfonic acid (PubChem CID 87059859) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is (E)-3-fluoroprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name(E)-3-fluoroprop-2-ene-1-sulfonic acid
PubChem CID87059859
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Name(E)-3-fluoroprop-2-ene-1-sulfonic acid
SMILESO=S(=O)(O)C/C=C/F
InChIInChI=1S/C3H5FO3S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H,5,6,7)/b2-1+
InChIKeyAWHMUJOIKNKMDA-OWOJBTEDSA-N
XLogP0.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoroprop-2-ene-1-sulfonic acid?
The IUPAC name of (E)-3-fluoroprop-2-ene-1-sulfonic acid (CID 87059859) is (E)-3-fluoroprop-2-ene-1-sulfonic acid.
What is the SMILES notation for (E)-3-fluoroprop-2-ene-1-sulfonic acid?
The canonical SMILES for (E)-3-fluoroprop-2-ene-1-sulfonic acid is O=S(=O)(O)C/C=C/F.
What is the InChIKey of (E)-3-fluoroprop-2-ene-1-sulfonic acid?
The InChIKey is AWHMUJOIKNKMDA-OWOJBTEDSA-N. The full InChI is InChI=1S/C3H5FO3S/c4-2-1-3-8(5,6)7/h1-2H,3H2,(H,5,6,7)/b2-1+.
What are the key properties of (E)-3-fluoroprop-2-ene-1-sulfonic acid?
(E)-3-fluoroprop-2-ene-1-sulfonic acid has a molecular weight of 140.13 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoroprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 87059859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).