4-fluorobut-3-ene-2-sulfonic acid

C4H7FO3S — CID 173019284

IUPAC4-fluorobut-3-ene-2-sulfonic acid
SMILESCC(C=CF)S(=O)(=O)O
InChIInChI=1S/C4H7FO3S/c1-4(2-3-5)9(6,7)8/h2-4H,1H3,(H,6,7,8)
InChIKeyVVDZSTHBKYCWKY-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.75
Rot. Bonds2

About 4-fluorobut-3-ene-2-sulfonic acid

4-fluorobut-3-ene-2-sulfonic acid (PubChem CID 173019284) has the molecular formula C4H7FO3S and a molecular weight of 154.16 g/mol. Its IUPAC name is 4-fluorobut-3-ene-2-sulfonic acid.

Molecular Properties

Compound Name4-fluorobut-3-ene-2-sulfonic acid
PubChem CID173019284
Molecular FormulaC4H7FO3S
Molecular Weight154.16 g/mol
Exact Mass154.01
IUPAC Name4-fluorobut-3-ene-2-sulfonic acid
SMILESCC(C=CF)S(=O)(=O)O
InChIInChI=1S/C4H7FO3S/c1-4(2-3-5)9(6,7)8/h2-4H,1H3,(H,6,7,8)
InChIKeyVVDZSTHBKYCWKY-UHFFFAOYSA-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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Related Compounds

Pentaene-4-sulfonic acid
CID 88512370
But-3-ene-1-sulfonic acid
CID 20236112
But-1-ene-1-sulfonic acid
CID 54426367
4-Fluorobut-3-ene-2-sulfinic acid
CID 57214293
1-Fluoroprop-2-ene-1-sulfonic acid
CID 87059858
(E)-3-fluoroprop-2-ene-1-sulfonic acid
CID 87059859
(E)-4-fluorobut-3-ene-2-sulfonic acid
CID 87155801
3-Fluorobut-3-ene-2-sulfonic acid
CID 87156431
3-Fluorobut-3-ene-1-sulfonic acid
CID 87156432
3-Fluoroprop-2-ene-1-sulfonic acid
CID 90760778
4-Fluorobut-3-ene-1-sulfonic acid
CID 90977669
4-Fluorohex-1-ene-3-sulfinic acid
CID 123901017

Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-3-ene-2-sulfonic acid?
The IUPAC name of 4-fluorobut-3-ene-2-sulfonic acid (CID 173019284) is 4-fluorobut-3-ene-2-sulfonic acid.
What is the SMILES notation for 4-fluorobut-3-ene-2-sulfonic acid?
The canonical SMILES for 4-fluorobut-3-ene-2-sulfonic acid is CC(C=CF)S(=O)(=O)O.
What is the InChIKey of 4-fluorobut-3-ene-2-sulfonic acid?
The InChIKey is VVDZSTHBKYCWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO3S/c1-4(2-3-5)9(6,7)8/h2-4H,1H3,(H,6,7,8).
What are the key properties of 4-fluorobut-3-ene-2-sulfonic acid?
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 4-fluorobut-3-ene-2-sulfonic acid is sourced from PubChem (CID 173019284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).