1-fluoroprop-2-ene-1-sulfonic acid

C3H5FO3S — CID 87059858

IUPAC1-fluoroprop-2-ene-1-sulfonic acid
SMILESC=CC(F)S(=O)(=O)O
InChIInChI=1S/C3H5FO3S/c1-2-3(4)8(5,6)7/h2-3H,1H2,(H,5,6,7)
InChIKeyYHHUSEFFNAVMQJ-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.36
Rot. Bonds2

About 1-fluoroprop-2-ene-1-sulfonic acid

1-fluoroprop-2-ene-1-sulfonic acid (PubChem CID 87059858) has the molecular formula C3H5FO3S and a molecular weight of 140.13 g/mol. Its IUPAC name is 1-fluoroprop-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name1-fluoroprop-2-ene-1-sulfonic acid
PubChem CID87059858
Molecular FormulaC3H5FO3S
Molecular Weight140.13 g/mol
Exact Mass139.99
IUPAC Name1-fluoroprop-2-ene-1-sulfonic acid
SMILESC=CC(F)S(=O)(=O)O
InChIInChI=1S/C3H5FO3S/c1-2-3(4)8(5,6)7/h2-3H,1H2,(H,5,6,7)
InChIKeyYHHUSEFFNAVMQJ-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoroprop-2-ene-1-sulfonic acid?
The IUPAC name of 1-fluoroprop-2-ene-1-sulfonic acid (CID 87059858) is 1-fluoroprop-2-ene-1-sulfonic acid.
What is the SMILES notation for 1-fluoroprop-2-ene-1-sulfonic acid?
The canonical SMILES for 1-fluoroprop-2-ene-1-sulfonic acid is C=CC(F)S(=O)(=O)O.
What is the InChIKey of 1-fluoroprop-2-ene-1-sulfonic acid?
The InChIKey is YHHUSEFFNAVMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5FO3S/c1-2-3(4)8(5,6)7/h2-3H,1H2,(H,5,6,7).
What are the key properties of 1-fluoroprop-2-ene-1-sulfonic acid?
1-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 1-fluoroprop-2-ene-1-sulfonic acid is sourced from PubChem (CID 87059858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).