2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid

C4H6F4O4S — CID 58616349

IUPAC2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESCCOC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H6F4O4S/c1-2-12-3(5,6)4(7,8)13(9,10)11/h2H2,1H3,(H,9,10,11)
InChIKeyYIJRLRYNOFWSQF-UHFFFAOYSA-N
MW226.15 g/mol
LogP1.10
Rot. Bonds4

About 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid

2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid (PubChem CID 58616349) has the molecular formula C4H6F4O4S and a molecular weight of 226.15 g/mol. Its IUPAC name is 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid.

Molecular Properties

Compound Name2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid
PubChem CID58616349
Molecular FormulaC4H6F4O4S
Molecular Weight226.15 g/mol
Exact Mass225.99
IUPAC Name2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid
SMILESCCOC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H6F4O4S/c1-2-12-3(5,6)4(7,8)13(9,10)11/h2H2,1H3,(H,9,10,11)
InChIKeyYIJRLRYNOFWSQF-UHFFFAOYSA-N
XLogP1.10
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 51.10
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 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic 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 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid?
The IUPAC name of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid (CID 58616349) is 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid.
What is the SMILES notation for 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid?
The canonical SMILES for 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid is CCOC(F)(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid?
The InChIKey is YIJRLRYNOFWSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F4O4S/c1-2-12-3(5,6)4(7,8)13(9,10)11/h2H2,1H3,(H,9,10,11).
What are the key properties of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid?
2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid has a molecular weight of 226.15 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonic acid is sourced from PubChem (CID 58616349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).