2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid

C108H91F31O51S7 — CID 158457648

About 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid

2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid (PubChem CID 158457648) has the molecular formula C108H91F31O51S7 and a molecular weight of 3018.27 g/mol. Its IUPAC name is 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid.

Molecular Properties

• Compound Name: 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid
• PubChem CID: 158457648
• Molecular Formula: C108H91F31O51S7
• Molecular Weight: 3018.27 g/mol
• Exact Mass: 3016.21
• IUPAC Name: 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid
• SMILES: CC(F)(F)C(OC(=O)CCCOC(=O)c1ccccc1)C(F)(F)F.O=C(CCCOC(=O)c1ccccc1)OCC(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccc2ccccc2c1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccc2ccccc2c1)OCC(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccccc1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccccc1)OCC(F)(F)S(=O)(=O)O.O=C(COc1ccc2ccccc2c1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.O=C(COc1ccccc1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O
• InChI: InChI=1S/C16H11F5O7S.C15H11F5O6S.C15H15F5O4.C15H12F2O7S.C13H14F2O7S.C12H9F5O7S.C11H9F5O6S.C11H10F2O7S/c17-15(18,19)14(16(20,21)29(24,25)26)28-12(22)8-27-13(23)11-6-5-9-3-1-2-4-10(9)7-11;16-14(17,18)13(15(19,20)27(22,23)24)26-12(21)8-25-11-6-5-9-3-1-2-4-10(9)7-11;1-14(16,17)13(15(18,19)20)24-11(21)8-5-9-23-12(22)10-6-3-2-4-7-10;16-15(17,25(20,21)22)9-24-13(18)8-23-14(19)12-6-5-10-3-1-2-4-11(10)7-12;14-13(15,23(18,19)20)9-22-11(16)7-4-8-21-12(17)10-5-2-1-3-6-10;13-11(14,15)10(12(16,17)25(20,21)22)24-8(18)6-23-9(19)7-4-2-1-3-5-7;12-10(13,14)9(11(15,16)23(18,19)20)22-8(17)6-21-7-4-2-1-3-5-7;12-11(13,21(16,17)18)7-20-9(14)6-19-10(15)8-4-2-1-3-5-8/h1-7,14H,8H2,(H,24,25,26);1-7,13H,8H2,(H,22,23,24);2-4,6-7,13H,5,8-9H2,1H3;1-7H,8-9H2,(H,20,21,22);1-3,5-6H,4,7-9H2,(H,18,19,20);1-5,10H,6H2,(H,20,21,22);1-5,9H,6H2,(H,18,19,20);1-5H,6-7H2,(H,16,17,18)
• InChIKey: HETQZWCLXUOPDD-UHFFFAOYSA-N
• XLogP: 18.23
• TPSA: 767.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 44
• Rotatable Bonds: 51
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3018.27
LogP ≤ 5	18.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid?

The IUPAC name of 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid (CID 158457648) is 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid.

What is the SMILES notation for 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid?

The canonical SMILES for 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid is CC(F)(F)C(OC(=O)CCCOC(=O)c1ccccc1)C(F)(F)F.O=C(CCCOC(=O)c1ccccc1)OCC(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccc2ccccc2c1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccc2ccccc2c1)OCC(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccccc1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.O=C(COC(=O)c1ccccc1)OCC(F)(F)S(=O)(=O)O.O=C(COc1ccc2ccccc2c1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.O=C(COc1ccccc1)OC(C(F)(F)F)C(F)(F)S(=O)(=O)O.

What is the InChIKey of 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid?

The InChIKey is HETQZWCLXUOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5O7S.C15H11F5O6S.C15H15F5O4.C15H12F2O7S.C13H14F2O7S.C12H9F5O7S.C11H9F5O6S.C11H10F2O7S/c17-15(18,19)14(16(20,21)29(24,25)26)28-12(22)8-27-13(23)11-6-5-9-3-1-2-4-10(9)7-11;16-14(17,18)13(15(19,20)27(22,23)24)26-12(21)8-25-11-6-5-9-3-1-2-4-10(9)7-11;1-14(16,17)13(15(18,19)20)24-11(21)8-5-9-23-12(22)10-6-3-2-4-7-10;16-15(17,25(20,21)22)9-24-13(18)8-23-14(19)12-6-5-10-3-1-2-4-11(10)7-12;14-13(15,23(18,19)20)9-22-11(16)7-4-8-21-12(17)10-5-2-1-3-6-10;13-11(14,15)10(12(16,17)25(20,21)22)24-8(18)6-23-9(19)7-4-2-1-3-5-7;12-10(13,14)9(11(15,16)23(18,19)20)22-8(17)6-21-7-4-2-1-3-5-7;12-11(13,21(16,17)18)7-20-9(14)6-19-10(15)8-4-2-1-3-5-8/h1-7,14H,8H2,(H,24,25,26);1-7,13H,8H2,(H,22,23,24);2-4,6-7,13H,5,8-9H2,1H3;1-7H,8-9H2,(H,20,21,22);1-3,5-6H,4,7-9H2,(H,18,19,20);1-5,10H,6H2,(H,20,21,22);1-5,9H,6H2,(H,18,19,20);1-5H,6-7H2,(H,16,17,18).

What are the key properties of 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid?

2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid has a molecular weight of 3018.27 g/mol, XLogP of 18.23, 51 rotatable bonds, 7 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-benzoyloxyacetyl)oxy-1,1-difluoroethanesulfonic acid;2-(2-benzoyloxyacetyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonic acid;2-(4-benzoyloxybutanoyloxy)-1,1-difluoroethanesulfonic acid;1,1-difluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxyethanesulfonic acid;[4-oxo-4-(1,1,1,3,3-pentafluorobutan-2-yloxy)butyl] benzoate;1,1,3,3,3-pentafluoro-2-[2-(naphthalene-2-carbonyloxy)acetyl]oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-naphthalen-2-yloxyacetyl)oxypropane-1-sulfonic acid;1,1,3,3,3-pentafluoro-2-(2-phenoxyacetyl)oxypropane-1-sulfonic acid is sourced from PubChem (CID 158457648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).