2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride

C4H5F5O3S — CID 13024161

IUPAC2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESCCOC(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H5F5O3S/c1-2-12-3(5,6)4(7,8)13(9,10)11/h2H2,1H3
InChIKeyZUQAJOZYAGTOHA-UHFFFAOYSA-N
MW228.14 g/mol
LogP1.51
Rot. Bonds4

About 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride

2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride (PubChem CID 13024161) has the molecular formula C4H5F5O3S and a molecular weight of 228.14 g/mol. Its IUPAC name is 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride.

Molecular Properties

Compound Name2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride
PubChem CID13024161
Molecular FormulaC4H5F5O3S
Molecular Weight228.14 g/mol
Exact Mass227.99
IUPAC Name2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride
SMILESCCOC(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4H5F5O3S/c1-2-12-3(5,6)4(7,8)13(9,10)11/h2H2,1H3
InChIKeyZUQAJOZYAGTOHA-UHFFFAOYSA-N
XLogP1.51
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The IUPAC name of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride (CID 13024161) is 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride.
What is the SMILES notation for 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The canonical SMILES for 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride is CCOC(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
The InChIKey is ZUQAJOZYAGTOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O3S/c1-2-12-3(5,6)4(7,8)13(9,10)11/h2H2,1H3.
What are the key properties of 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride?
2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride has a molecular weight of 228.14 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,1,2,2-tetrafluoroethanesulfonyl fluoride is sourced from PubChem (CID 13024161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).