2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid

C10H13F5O6S — CID 58091887

IUPAC2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
SMILESO=C(COC1CCCC1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C10H13F5O6S/c11-9(12,13)8(10(14,15)22(17,18)19)21-7(16)5-20-6-3-1-2-4-6/h6,8H,1-5H2,(H,17,18,19)
InChIKeyZKQWBWOYTAHCDK-UHFFFAOYSA-N
MW356.27 g/mol
LogP1.90
Rot. Bonds6

About 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid

2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid (PubChem CID 58091887) has the molecular formula C10H13F5O6S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
PubChem CID58091887
Molecular FormulaC10H13F5O6S
Molecular Weight356.27 g/mol
Exact Mass356.04
IUPAC Name2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
SMILESO=C(COC1CCCC1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C10H13F5O6S/c11-9(12,13)8(10(14,15)22(17,18)19)21-7(16)5-20-6-3-1-2-4-6/h6,8H,1-5H2,(H,17,18,19)
InChIKeyZKQWBWOYTAHCDK-UHFFFAOYSA-N
XLogP1.90
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
The IUPAC name of 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid (CID 58091887) is 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid.
What is the SMILES notation for 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
The canonical SMILES for 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid is O=C(COC1CCCC1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
The InChIKey is ZKQWBWOYTAHCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F5O6S/c11-9(12,13)8(10(14,15)22(17,18)19)21-7(16)5-20-6-3-1-2-4-6/h6,8H,1-5H2,(H,17,18,19).
What are the key properties of 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid has a molecular weight of 356.27 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid is sourced from PubChem (CID 58091887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).