4-fluorobutane-1-sulfonic acid

C4H9FO3S — CID 3029314

IUPAC4-fluorobutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCF
InChIInChI=1S/C4H9FO3S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H,6,7,8)
InChIKeyVIBZIWVWQZCICF-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.62
Rot. Bonds4

About 4-fluorobutane-1-sulfonic acid

4-fluorobutane-1-sulfonic acid (PubChem CID 3029314) has the molecular formula C4H9FO3S and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-fluorobutane-1-sulfonic acid.

Molecular Properties

Compound Name4-fluorobutane-1-sulfonic acid
PubChem CID3029314
Molecular FormulaC4H9FO3S
Molecular Weight156.18 g/mol
Exact Mass156.03
IUPAC Name4-fluorobutane-1-sulfonic acid
SMILESO=S(=O)(O)CCCCF
InChIInChI=1S/C4H9FO3S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H,6,7,8)
InChIKeyVIBZIWVWQZCICF-UHFFFAOYSA-N
XLogP0.62
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobutane-1-sulfonic acid?
The IUPAC name of 4-fluorobutane-1-sulfonic acid (CID 3029314) is 4-fluorobutane-1-sulfonic acid.
What is the SMILES notation for 4-fluorobutane-1-sulfonic acid?
The canonical SMILES for 4-fluorobutane-1-sulfonic acid is O=S(=O)(O)CCCCF.
What is the InChIKey of 4-fluorobutane-1-sulfonic acid?
The InChIKey is VIBZIWVWQZCICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FO3S/c5-3-1-2-4-9(6,7)8/h1-4H2,(H,6,7,8).
What are the key properties of 4-fluorobutane-1-sulfonic acid?
4-fluorobutane-1-sulfonic acid has a molecular weight of 156.18 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobutane-1-sulfonic acid is sourced from PubChem (CID 3029314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).