4,5-dichloro-3-fluorothiophene-2-sulfonic acid

C4HCl2FO3S2 — CID 126749985

IUPAC4,5-dichloro-3-fluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1sc(Cl)c(Cl)c1F
InChIInChI=1S/C4HCl2FO3S2/c5-1-2(7)4(11-3(1)6)12(8,9)10/h(H,8,9,10)
InChIKeyUCLZFLHTECWCQY-UHFFFAOYSA-N
MW251.09 g/mol
LogP2.44
Rot. Bonds1

About 4,5-dichloro-3-fluorothiophene-2-sulfonic acid

4,5-dichloro-3-fluorothiophene-2-sulfonic acid (PubChem CID 126749985) has the molecular formula C4HCl2FO3S2 and a molecular weight of 251.09 g/mol. Its IUPAC name is 4,5-dichloro-3-fluorothiophene-2-sulfonic acid.

Molecular Properties

Compound Name4,5-dichloro-3-fluorothiophene-2-sulfonic acid
PubChem CID126749985
Molecular FormulaC4HCl2FO3S2
Molecular Weight251.09 g/mol
Exact Mass249.87
IUPAC Name4,5-dichloro-3-fluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1sc(Cl)c(Cl)c1F
InChIInChI=1S/C4HCl2FO3S2/c5-1-2(7)4(11-3(1)6)12(8,9)10/h(H,8,9,10)
InChIKeyUCLZFLHTECWCQY-UHFFFAOYSA-N
XLogP2.44
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.09
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4,5-dichloro-3-fluorothiophene-2-sulfonic acid?
The IUPAC name of 4,5-dichloro-3-fluorothiophene-2-sulfonic acid (CID 126749985) is 4,5-dichloro-3-fluorothiophene-2-sulfonic acid.
What is the SMILES notation for 4,5-dichloro-3-fluorothiophene-2-sulfonic acid?
The canonical SMILES for 4,5-dichloro-3-fluorothiophene-2-sulfonic acid is O=S(=O)(O)c1sc(Cl)c(Cl)c1F.
What is the InChIKey of 4,5-dichloro-3-fluorothiophene-2-sulfonic acid?
The InChIKey is UCLZFLHTECWCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HCl2FO3S2/c5-1-2(7)4(11-3(1)6)12(8,9)10/h(H,8,9,10).
What are the key properties of 4,5-dichloro-3-fluorothiophene-2-sulfonic acid?
4,5-dichloro-3-fluorothiophene-2-sulfonic acid has a molecular weight of 251.09 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-fluorothiophene-2-sulfonic acid is sourced from PubChem (CID 126749985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).