1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride

C2H2ClF5O3S — CID 129017420

IUPAC1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O3S.ClH/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);1H
InChIKeyARSSDCKFTKPPEO-UHFFFAOYSA-N
MW236.54 g/mol
LogP1.45
Rot. Bonds1

About 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride

1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride (PubChem CID 129017420) has the molecular formula C2H2ClF5O3S and a molecular weight of 236.54 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride
PubChem CID129017420
Molecular FormulaC2H2ClF5O3S
Molecular Weight236.54 g/mol
Exact Mass235.93
IUPAC Name1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C2HF5O3S.ClH/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);1H
InChIKeyARSSDCKFTKPPEO-UHFFFAOYSA-N
XLogP1.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.54
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_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 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride?
The IUPAC name of 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride (CID 129017420) is 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride.
What is the SMILES notation for 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride?
The canonical SMILES for 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride is Cl.O=S(=O)(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride?
The InChIKey is ARSSDCKFTKPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O3S.ClH/c3-1(4,5)2(6,7)11(8,9)10;/h(H,8,9,10);1H.
What are the key properties of 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride?
1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride has a molecular weight of 236.54 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoroethanesulfonic acid;hydrochloride is sourced from PubChem (CID 129017420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).