2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate

C92H100F24O59S10-8 — CID 157219422

IUPAC2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate
SMILESCC(=O)OCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(COC(=O)C1CCCCC1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3C(OC(=O)C31)C2O.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3C2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3O2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3S2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OS(=O)(=O)C1C3C2
InChIInChI=1S/C16H21F3O7S.C12H13F3O8S.C12H13F3O7S.C12H17F3O7S.C11H13F3O8S2.C11H11F3O8S.C11H11F3O7S2.C7H9F3O7S/c17-16(18,19)12(8-27(22,23)24)26-13(20)7-25-14(21)15-4-9-1-10(5-15)3-11(2-9)6-15;13-12(14,15)5(2-24(19,20)21)22-10(17)6-3-1-4-7(6)11(18)23-9(4)8(3)16;13-12(14,15)7(3-23(18,19)20)22-10(16)8-4-1-5-6(2-4)21-11(17)9(5)8;13-12(14,15)9(7-23(18,19)20)22-10(16)6-21-11(17)8-4-2-1-3-5-8;12-11(13,14)7(3-23(16,17)18)21-10(15)8-4-1-5-6(2-4)22-24(19,20)9(5)8;12-11(13,14)5(2-23(17,18)19)22-9(15)6-3-1-4-8(20-3)7(6)10(16)21-4;12-11(13,14)5(2-23(17,18)19)21-9(15)6-4-1-3-8(22-4)7(6)10(16)20-3;1-4(11)16-2-6(12)17-5(7(8,9)10)3-18(13,14)15/h9-12H,1-8H2,(H,22,23,24);3-9,16H,1-2H2,(H,19,20,21);4-9H,1-3H2,(H,18,19,20);8-9H,1-7H2,(H,18,19,20);4-9H,1-3H2,(H,16,17,18);2*3-8H,1-2H2,(H,17,18,19);5H,2-3H2,1H3,(H,13,14,15)/p-8
InChIKeyASUOTYNIDBXPFP-UHFFFAOYSA-F
MW2926.37 g/mol
LogP0.99
Rot. Bonds37

About 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate

2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate (PubChem CID 157219422) has the molecular formula C92H100F24O59S10-8 and a molecular weight of 2926.37 g/mol. Its IUPAC name is 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate.

Molecular Properties

Compound Name2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate
PubChem CID157219422
Molecular FormulaC92H100F24O59S10-8
Molecular Weight2926.37 g/mol
Exact Mass2924.17
IUPAC Name2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate
SMILESCC(=O)OCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(COC(=O)C1CCCCC1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3C(OC(=O)C31)C2O.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3C2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3O2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3S2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OS(=O)(=O)C1C3C2
InChIInChI=1S/C16H21F3O7S.C12H13F3O8S.C12H13F3O7S.C12H17F3O7S.C11H13F3O8S2.C11H11F3O8S.C11H11F3O7S2.C7H9F3O7S/c17-16(18,19)12(8-27(22,23)24)26-13(20)7-25-14(21)15-4-9-1-10(5-15)3-11(2-9)6-15;13-12(14,15)5(2-24(19,20)21)22-10(17)6-3-1-4-7(6)11(18)23-9(4)8(3)16;13-12(14,15)7(3-23(18,19)20)22-10(16)8-4-1-5-6(2-4)21-11(17)9(5)8;13-12(14,15)9(7-23(18,19)20)22-10(16)6-21-11(17)8-4-2-1-3-5-8;12-11(13,14)7(3-23(16,17)18)21-10(15)8-4-1-5-6(2-4)22-24(19,20)9(5)8;12-11(13,14)5(2-23(17,18)19)22-9(15)6-3-1-4-8(20-3)7(6)10(16)21-4;12-11(13,14)5(2-23(17,18)19)21-9(15)6-4-1-3-8(22-4)7(6)10(16)20-3;1-4(11)16-2-6(12)17-5(7(8,9)10)3-18(13,14)15/h9-12H,1-8H2,(H,22,23,24);3-9,16H,1-2H2,(H,19,20,21);4-9H,1-3H2,(H,18,19,20);8-9H,1-7H2,(H,18,19,20);4-9H,1-3H2,(H,16,17,18);2*3-8H,1-2H2,(H,17,18,19);5H,2-3H2,1H3,(H,13,14,15)/p-8
InChIKeyASUOTYNIDBXPFP-UHFFFAOYSA-F
XLogP0.99
TPSA924.93 Ų
H-Bond Donors1
H-Bond Acceptors60
Rotatable Bonds37
Heavy Atoms185
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002926.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1060

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
The IUPAC name of 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate (CID 157219422) is 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate.
What is the SMILES notation for 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
The canonical SMILES for 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate is CC(=O)OCC(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(COC(=O)C1CCCCC1)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3C(OC(=O)C31)C2O.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3C2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3O2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OC(=O)C1C3S2.O=C(OC(CS(=O)(=O)[O-])C(F)(F)F)C1C2CC3OS(=O)(=O)C1C3C2.
What is the InChIKey of 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
The InChIKey is ASUOTYNIDBXPFP-UHFFFAOYSA-F. The full InChI is InChI=1S/C16H21F3O7S.C12H13F3O8S.C12H13F3O7S.C12H17F3O7S.C11H13F3O8S2.C11H11F3O8S.C11H11F3O7S2.C7H9F3O7S/c17-16(18,19)12(8-27(22,23)24)26-13(20)7-25-14(21)15-4-9-1-10(5-15)3-11(2-9)6-15;13-12(14,15)5(2-24(19,20)21)22-10(17)6-3-1-4-7(6)11(18)23-9(4)8(3)16;13-12(14,15)7(3-23(18,19)20)22-10(16)8-4-1-5-6(2-4)21-11(17)9(5)8;13-12(14,15)9(7-23(18,19)20)22-10(16)6-21-11(17)8-4-2-1-3-5-8;12-11(13,14)7(3-23(16,17)18)21-10(15)8-4-1-5-6(2-4)22-24(19,20)9(5)8;12-11(13,14)5(2-23(17,18)19)22-9(15)6-3-1-4-8(20-3)7(6)10(16)21-4;12-11(13,14)5(2-23(17,18)19)21-9(15)6-4-1-3-8(22-4)7(6)10(16)20-3;1-4(11)16-2-6(12)17-5(7(8,9)10)3-18(13,14)15/h9-12H,1-8H2,(H,22,23,24);3-9,16H,1-2H2,(H,19,20,21);4-9H,1-3H2,(H,18,19,20);8-9H,1-7H2,(H,18,19,20);4-9H,1-3H2,(H,16,17,18);2*3-8H,1-2H2,(H,17,18,19);5H,2-3H2,1H3,(H,13,14,15)/p-8.
What are the key properties of 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate has a molecular weight of 2926.37 g/mol, XLogP of 0.99, 37 rotatable bonds, 1 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxyacetyl)oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(adamantane-1-carbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-[2-(cyclohexanecarbonyloxy)acetyl]oxy-3,3,3-trifluoropropane-1-sulfonate;2-(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-3,3,3-trifluoropropane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxa-8-thiatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate is sourced from PubChem (CID 157219422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).