2,5-difluorobenzenesulfonic acid;hydrochloride

C6H5ClF2O3S — CID 174777821

IUPAC2,5-difluorobenzenesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1cc(F)ccc1F
InChIInChI=1S/C6H4F2O3S.ClH/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,(H,9,10,11);1H
InChIKeyGLLIQSAYBZMYIM-UHFFFAOYSA-N
MW230.62 g/mol
LogP1.63
Rot. Bonds1

About 2,5-difluorobenzenesulfonic acid;hydrochloride

2,5-difluorobenzenesulfonic acid;hydrochloride (PubChem CID 174777821) has the molecular formula C6H5ClF2O3S and a molecular weight of 230.62 g/mol. Its IUPAC name is 2,5-difluorobenzenesulfonic acid;hydrochloride.

Molecular Properties

Compound Name2,5-difluorobenzenesulfonic acid;hydrochloride
PubChem CID174777821
Molecular FormulaC6H5ClF2O3S
Molecular Weight230.62 g/mol
Exact Mass229.96
IUPAC Name2,5-difluorobenzenesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1cc(F)ccc1F
InChIInChI=1S/C6H4F2O3S.ClH/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,(H,9,10,11);1H
InChIKeyGLLIQSAYBZMYIM-UHFFFAOYSA-N
XLogP1.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.62
LogP ≤ 51.63
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 2,5-difluorobenzenesulfonic acid;hydrochloride?
The IUPAC name of 2,5-difluorobenzenesulfonic acid;hydrochloride (CID 174777821) is 2,5-difluorobenzenesulfonic acid;hydrochloride.
What is the SMILES notation for 2,5-difluorobenzenesulfonic acid;hydrochloride?
The canonical SMILES for 2,5-difluorobenzenesulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluorobenzenesulfonic acid;hydrochloride?
The InChIKey is GLLIQSAYBZMYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3S.ClH/c7-4-1-2-5(8)6(3-4)12(9,10)11;/h1-3H,(H,9,10,11);1H.
What are the key properties of 2,5-difluorobenzenesulfonic acid;hydrochloride?
2,5-difluorobenzenesulfonic acid;hydrochloride has a molecular weight of 230.62 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorobenzenesulfonic acid;hydrochloride is sourced from PubChem (CID 174777821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).