2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid

C2HClF4O3S — CID 15921872

IUPAC2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C2HClF4O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
InChIKeyJMZQNDHPXVHWLU-UHFFFAOYSA-N
MW216.54 g/mol
LogP1.30
Rot. Bonds2

About 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid

2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 15921872) has the molecular formula C2HClF4O3S and a molecular weight of 216.54 g/mol. Its IUPAC name is 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID15921872
Molecular FormulaC2HClF4O3S
Molecular Weight216.54 g/mol
Exact Mass215.93
IUPAC Name2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C2HClF4O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10)
InChIKeyJMZQNDHPXVHWLU-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.54
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid (CID 15921872) is 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is JMZQNDHPXVHWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HClF4O3S/c3-1(4,5)2(6,7)11(8,9)10/h(H,8,9,10).
What are the key properties of 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid?
2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 216.54 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 15921872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).