1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid

C4H5F5O4S — CID 22564633

IUPAC1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
SMILESCC(OC(F)(F)C(F)(F)F)S(=O)(=O)O
InChIInChI=1S/C4H5F5O4S/c1-2(14(10,11)12)13-4(8,9)3(5,6)7/h2H,1H3,(H,10,11,12)
InChIKeyUUAMWMKNVIGRHL-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.39
Rot. Bonds3

About 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid

1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid (PubChem CID 22564633) has the molecular formula C4H5F5O4S and a molecular weight of 244.14 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
PubChem CID22564633
Molecular FormulaC4H5F5O4S
Molecular Weight244.14 g/mol
Exact Mass243.98
IUPAC Name1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid
SMILESCC(OC(F)(F)C(F)(F)F)S(=O)(=O)O
InChIInChI=1S/C4H5F5O4S/c1-2(14(10,11)12)13-4(8,9)3(5,6)7/h2H,1H3,(H,10,11,12)
InChIKeyUUAMWMKNVIGRHL-UHFFFAOYSA-N
XLogP1.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid (CID 22564633) is 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid is CC(OC(F)(F)C(F)(F)F)S(=O)(=O)O.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid?
The InChIKey is UUAMWMKNVIGRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5O4S/c1-2(14(10,11)12)13-4(8,9)3(5,6)7/h2H,1H3,(H,10,11,12).
What are the key properties of 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid?
1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid has a molecular weight of 244.14 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethoxy)ethanesulfonic acid is sourced from PubChem (CID 22564633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).