1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid

C2HF5O4S — CID 18683175

IUPAC1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OF
InChIInChI=1S/C2HF5O4S/c3-1(4,11-7)2(5,6)12(8,9)10/h(H,8,9,10)
InChIKeyXRAWQSOJWGTYLQ-UHFFFAOYSA-N
MW216.08 g/mol
LogP0.96
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid

1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid (PubChem CID 18683175) has the molecular formula C2HF5O4S and a molecular weight of 216.08 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid
PubChem CID18683175
Molecular FormulaC2HF5O4S
Molecular Weight216.08 g/mol
Exact Mass215.95
IUPAC Name1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)OF
InChIInChI=1S/C2HF5O4S/c3-1(4,11-7)2(5,6)12(8,9)10/h(H,8,9,10)
InChIKeyXRAWQSOJWGTYLQ-UHFFFAOYSA-N
XLogP0.96
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid (CID 18683175) is 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)OF.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid?
The InChIKey is XRAWQSOJWGTYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF5O4S/c3-1(4,11-7)2(5,6)12(8,9)10/h(H,8,9,10).
What are the key properties of 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid?
1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid has a molecular weight of 216.08 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-fluorooxyethanesulfonic acid is sourced from PubChem (CID 18683175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).