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

C11H15F5O6S — CID 58091907

IUPAC2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
SMILESO=C(COC1CCCCC1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C11H15F5O6S/c12-10(13,14)9(11(15,16)23(18,19)20)22-8(17)6-21-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,18,19,20)
InChIKeyVGUWGHXIUZWNBU-UHFFFAOYSA-N
MW370.29 g/mol
LogP2.29
Rot. Bonds6

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

2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid (PubChem CID 58091907) has the molecular formula C11H15F5O6S and a molecular weight of 370.29 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
PubChem CID58091907
Molecular FormulaC11H15F5O6S
Molecular Weight370.29 g/mol
Exact Mass370.05
IUPAC Name2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
SMILESO=C(COC1CCCCC1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C11H15F5O6S/c12-10(13,14)9(11(15,16)23(18,19)20)22-8(17)6-21-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,18,19,20)
InChIKeyVGUWGHXIUZWNBU-UHFFFAOYSA-N
XLogP2.29
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.29
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyclopentyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 58091887
2-cyclohexyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 87208246
2-[2-(2-bicyclo[2.2.1]heptanyloxy)acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 58091845
2-(2-cyclopentyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid
CID 58091899
1,1,3,3,3-pentafluoro-2-[2-(1-hydroxyethenyl)cyclohexanecarbonyl]oxypropane-1-sulfonic acid
CID 88902024
1-O-cyclohexyl 4-O-(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-hydroxybutanedioate
CID 139675890
1,1,3,3,3-pentafluoro-2-[6-oxo-6-(1,1,1,3,3-pentafluorobutan-2-yloxy)hexanoyl]oxypropane-1-sulfonic acid
CID 118463316
2-(cyclopent-2-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 121311778
2-[2-[3,5-bis(hydroxymethyl)phenoxy]acetyl]oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 162504080
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
1,1,3,3,3-pentafluoro-2-(5-oxopyrrolidine-2-carbonyl)oxypropane-1-sulfonic acid
CID 146605607
1,1,3,3,3-pentafluoro-2-[3-(2-oxo-3-bicyclo[3.3.1]nonanyl)propanoyloxy]propane-1-sulfonic acid
CID 155070051

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
The IUPAC name of 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid (CID 58091907) is 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid.
What is the SMILES notation for 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
The canonical SMILES for 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid is O=C(COC1CCCCC1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
The InChIKey is VGUWGHXIUZWNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F5O6S/c12-10(13,14)9(11(15,16)23(18,19)20)22-8(17)6-21-7-4-2-1-3-5-7/h7,9H,1-6H2,(H,18,19,20).
What are the key properties of 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid?
2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid has a molecular weight of 370.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid is sourced from PubChem (CID 58091907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).