1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid

C4H3F5O4S — CID 54011972

IUPAC1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid
SMILESC=C(F)OC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H3F5O4S/c1-2(5)13-3(6,7)4(8,9)14(10,11)12/h1H2,(H,10,11,12)
InChIKeyKSZJPJIECDCWRP-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.52
Rot. Bonds4

About 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid

1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid (PubChem CID 54011972) has the molecular formula C4H3F5O4S and a molecular weight of 242.12 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid
PubChem CID54011972
Molecular FormulaC4H3F5O4S
Molecular Weight242.12 g/mol
Exact Mass241.97
IUPAC Name1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid
SMILESC=C(F)OC(F)(F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C4H3F5O4S/c1-2(5)13-3(6,7)4(8,9)14(10,11)12/h1H2,(H,10,11,12)
InChIKeyKSZJPJIECDCWRP-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid (CID 54011972) is 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid is C=C(F)OC(F)(F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid?
The InChIKey is KSZJPJIECDCWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F5O4S/c1-2(5)13-3(6,7)4(8,9)14(10,11)12/h1H2,(H,10,11,12).
What are the key properties of 1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid?
1,1,2,2-tetrafluoro-2-(1-fluoroethenoxy)ethanesulfonic acid has a molecular weight of 242.12 g/mol, XLogP of 1.52, 4 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-(1-fluoroethenoxy)ethanesulfonic acid is sourced from PubChem (CID 54011972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).