4-fluoronaphthalene-2-sulfonic acid

C10H7FO3S — CID 56841923

IUPAC4-fluoronaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(F)c2ccccc2c1
InChIInChI=1S/C10H7FO3S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,12,13,14)
InChIKeyDJDJXSQQEXAXAD-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.23
Rot. Bonds1

About 4-fluoronaphthalene-2-sulfonic acid

4-fluoronaphthalene-2-sulfonic acid (PubChem CID 56841923) has the molecular formula C10H7FO3S and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-fluoronaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name4-fluoronaphthalene-2-sulfonic acid
PubChem CID56841923
Molecular FormulaC10H7FO3S
Molecular Weight226.23 g/mol
Exact Mass226.01
IUPAC Name4-fluoronaphthalene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(F)c2ccccc2c1
InChIInChI=1S/C10H7FO3S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,12,13,14)
InChIKeyDJDJXSQQEXAXAD-UHFFFAOYSA-N
XLogP2.23
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.23
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 4-fluoronaphthalene-2-sulfonic acid?
The IUPAC name of 4-fluoronaphthalene-2-sulfonic acid (CID 56841923) is 4-fluoronaphthalene-2-sulfonic acid.
What is the SMILES notation for 4-fluoronaphthalene-2-sulfonic acid?
The canonical SMILES for 4-fluoronaphthalene-2-sulfonic acid is O=S(=O)(O)c1cc(F)c2ccccc2c1.
What is the InChIKey of 4-fluoronaphthalene-2-sulfonic acid?
The InChIKey is DJDJXSQQEXAXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3S/c11-10-6-8(15(12,13)14)5-7-3-1-2-4-9(7)10/h1-6H,(H,12,13,14).
What are the key properties of 4-fluoronaphthalene-2-sulfonic acid?
4-fluoronaphthalene-2-sulfonic acid has a molecular weight of 226.23 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoronaphthalene-2-sulfonic acid is sourced from PubChem (CID 56841923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).