1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid

C7H10F6O5S — CID 89022299

IUPAC1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid
SMILESCCOCCOC(F)(F)C(F)(C(F)(F)F)S(=O)(=O)O
InChIInChI=1S/C7H10F6O5S/c1-2-17-3-4-18-7(12,13)5(8,6(9,10)11)19(14,15)16/h2-4H2,1H3,(H,14,15,16)
InChIKeyDWQITISMIKVYRO-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.75
Rot. Bonds7

About 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid

1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid (PubChem CID 89022299) has the molecular formula C7H10F6O5S and a molecular weight of 320.21 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid
PubChem CID89022299
Molecular FormulaC7H10F6O5S
Molecular Weight320.21 g/mol
Exact Mass320.02
IUPAC Name1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid
SMILESCCOCCOC(F)(F)C(F)(C(F)(F)F)S(=O)(=O)O
InChIInChI=1S/C7H10F6O5S/c1-2-17-3-4-18-7(12,13)5(8,6(9,10)11)19(14,15)16/h2-4H2,1H3,(H,14,15,16)
InChIKeyDWQITISMIKVYRO-UHFFFAOYSA-N
XLogP1.75
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_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-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid?
The IUPAC name of 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid (CID 89022299) is 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid.
What is the SMILES notation for 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid?
The canonical SMILES for 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid is CCOCCOC(F)(F)C(F)(C(F)(F)F)S(=O)(=O)O.
What is the InChIKey of 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid?
The InChIKey is DWQITISMIKVYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O5S/c1-2-17-3-4-18-7(12,13)5(8,6(9,10)11)19(14,15)16/h2-4H2,1H3,(H,14,15,16).
What are the key properties of 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid?
1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid has a molecular weight of 320.21 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-1,1,2,3,3,3-hexafluoropropane-2-sulfonic acid is sourced from PubChem (CID 89022299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).