(E)-4-fluorobut-3-ene-2-sulfonic acid

C4H7FO3S — CID 87155801

IUPAC(E)-4-fluorobut-3-ene-2-sulfonic acid
SMILESCC(/C=C/F)S(=O)(=O)O
InChIInChI=1S/C4H7FO3S/c1-4(2-3-5)9(6,7)8/h2-4H,1H3,(H,6,7,8)/b3-2+
InChIKeyVVDZSTHBKYCWKY-NSCUHMNNSA-N
MW154.16 g/mol
LogP0.75
Rot. Bonds2

About (E)-4-fluorobut-3-ene-2-sulfonic acid

(E)-4-fluorobut-3-ene-2-sulfonic acid (PubChem CID 87155801) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is (E)-4-fluorobut-3-ene-2-sulfonic acid.

Molecular Properties

Compound Name(E)-4-fluorobut-3-ene-2-sulfonic acid
PubChem CID87155801
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name(E)-4-fluorobut-3-ene-2-sulfonic acid
SMILESCC(/C=C/F)S(=O)(=O)O
InChIInChI=1S/C4H7FO3S/c1-4(2-3-5)9(6,7)8/h2-4H,1H3,(H,6,7,8)/b3-2+
InChIKeyVVDZSTHBKYCWKY-NSCUHMNNSA-N
XLogP0.75
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.75
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)-4-fluorobut-3-ene-2-sulfonic acid?
The IUPAC name of (E)-4-fluorobut-3-ene-2-sulfonic acid (CID 87155801) is (E)-4-fluorobut-3-ene-2-sulfonic acid.
What is the SMILES notation for (E)-4-fluorobut-3-ene-2-sulfonic acid?
The canonical SMILES for (E)-4-fluorobut-3-ene-2-sulfonic acid is CC(/C=C/F)S(=O)(=O)O.
What is the InChIKey of (E)-4-fluorobut-3-ene-2-sulfonic acid?
The InChIKey is VVDZSTHBKYCWKY-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H7FO3S/c1-4(2-3-5)9(6,7)8/h2-4H,1H3,(H,6,7,8)/b3-2+.
What are the key properties of (E)-4-fluorobut-3-ene-2-sulfonic acid?
(E)-4-fluorobut-3-ene-2-sulfonic acid has a molecular weight of 154.16 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluorobut-3-ene-2-sulfonic acid is sourced from PubChem (CID 87155801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).