1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid

C2H2F4O4S — CID 18552303

IUPAC1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(O)(F)F
InChIInChI=1S/C2H2F4O4S/c3-1(4,7)2(5,6)11(8,9)10/h7H,(H,8,9,10)
InChIKeyWUKVGCKCWGXSAN-UHFFFAOYSA-N
MW198.09 g/mol
LogP0.05
Rot. Bonds2

About 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid

1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid (PubChem CID 18552303) has the molecular formula C2H2F4O4S and a molecular weight of 198.09 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid
PubChem CID18552303
Molecular FormulaC2H2F4O4S
Molecular Weight198.09 g/mol
Exact Mass197.96
IUPAC Name1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(O)(F)F
InChIInChI=1S/C2H2F4O4S/c3-1(4,7)2(5,6)11(8,9)10/h7H,(H,8,9,10)
InChIKeyWUKVGCKCWGXSAN-UHFFFAOYSA-N
XLogP0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.09
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-tetrafluoro-2-hydroxyethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid (CID 18552303) is 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid is O=S(=O)(O)C(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid?
The InChIKey is WUKVGCKCWGXSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F4O4S/c3-1(4,7)2(5,6)11(8,9)10/h7H,(H,8,9,10).
What are the key properties of 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid?
1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid has a molecular weight of 198.09 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-hydroxyethanesulfonic acid is sourced from PubChem (CID 18552303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).