2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate

C106H109F54O54S9-9 — CID 162156354

IUPAC2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESCC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(O)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1C2CC3OC(=O)C1C3C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1C2CC3OC(=O)C1C3O2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CCC1C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CCC1O2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=C1CCC(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H18F6O5S.C13H12F6O7S.C12H10F6O8S.C12H14F6O7S.C12H14F6O5S.2C11H12F6O6S.C11H14F6O5S.C9H12F6O5S/c16-14(17,18)13(15(19,20)21,7-27(23,24)25)26-11(22)12-4-8-1-9(5-12)3-10(2-8)6-12;14-12(15,16)11(13(17,18)19,3-27(22,23)24)26-10(21)7-4-1-5-6(2-4)25-9(20)8(5)7;13-11(14,15)10(12(16,17)18,2-27(21,22)23)26-9(20)5-3-1-4-7(24-3)6(5)8(19)25-4;13-11(14,15)10(12(16,17)18,5-26(22,23)24)25-9(21)7-4-2-1-3-6(7)8(19)20;13-11(14,15)10(12(16,17)18,5-24(20,21)22)23-9(19)8-4-6-1-2-7(8)3-6;12-10(13,14)9(11(15,16)17,4-24(19,20)21)23-8(18)6-3-5-1-2-7(6)22-5;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-1-3-7(18)4-2-6;12-10(13,14)9(11(15,16)17,6-23(19,20)21)22-8(18)7-4-2-1-3-5-7;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19/h8-10H,1-7H2,(H,23,24,25);4-8H,1-3H2,(H,22,23,24);3-7H,1-2H2,(H,21,22,23);6-7H,1-5H2,(H,19,20)(H,22,23,24);6-8H,1-5H2,(H,20,21,22);5-7H,1-4H2,(H,19,20,21);6H,1-5H2,(H,20,21,22);7H,1-6H2,(H,19,20,21);4H2,1-3H3,(H,17,18,19)/p-9
InChIKeyZLWKWYXXJTVQAT-UHFFFAOYSA-E
MW3561.48 g/mol
LogP16.47
Rot. Bonds36

About 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate

2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 162156354) has the molecular formula C106H109F54O54S9-9 and a molecular weight of 3561.48 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID162156354
Molecular FormulaC106H109F54O54S9-9
Molecular Weight3561.48 g/mol
Exact Mass3559.25
IUPAC Name2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESCC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(O)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1C2CC3OC(=O)C1C3C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1C2CC3OC(=O)C1C3O2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CCC1C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CCC1O2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=C1CCC(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C15H18F6O5S.C13H12F6O7S.C12H10F6O8S.C12H14F6O7S.C12H14F6O5S.2C11H12F6O6S.C11H14F6O5S.C9H12F6O5S/c16-14(17,18)13(15(19,20)21,7-27(23,24)25)26-11(22)12-4-8-1-9(5-12)3-10(2-8)6-12;14-12(15,16)11(13(17,18)19,3-27(22,23)24)26-10(21)7-4-1-5-6(2-4)25-9(20)8(5)7;13-11(14,15)10(12(16,17)18,2-27(21,22)23)26-9(20)5-3-1-4-7(24-3)6(5)8(19)25-4;13-11(14,15)10(12(16,17)18,5-26(22,23)24)25-9(21)7-4-2-1-3-6(7)8(19)20;13-11(14,15)10(12(16,17)18,5-24(20,21)22)23-9(19)8-4-6-1-2-7(8)3-6;12-10(13,14)9(11(15,16)17,4-24(19,20)21)23-8(18)6-3-5-1-2-7(6)22-5;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-1-3-7(18)4-2-6;12-10(13,14)9(11(15,16)17,6-23(19,20)21)22-8(18)7-4-2-1-3-5-7;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19/h8-10H,1-7H2,(H,23,24,25);4-8H,1-3H2,(H,22,23,24);3-7H,1-2H2,(H,21,22,23);6-7H,1-5H2,(H,19,20)(H,22,23,24);6-8H,1-5H2,(H,20,21,22);5-7H,1-4H2,(H,19,20,21);6H,1-5H2,(H,20,21,22);7H,1-6H2,(H,19,20,21);4H2,1-3H3,(H,17,18,19)/p-9
InChIKeyZLWKWYXXJTVQAT-UHFFFAOYSA-E
XLogP16.47
TPSA876.93 Ų
H-Bond Donors1
H-Bond Acceptors53
Rotatable Bonds36
Heavy Atoms223
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003561.48
LogP ≤ 516.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 162156354) is 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate is CC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(O)C1CCCCC1C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C12CC3CC(CC(C3)C1)C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1C2CC3OC(=O)C1C3C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1C2CC3OC(=O)C1C3O2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CCC1C2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CC2CCC1O2.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=C1CCC(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is ZLWKWYXXJTVQAT-UHFFFAOYSA-E. The full InChI is InChI=1S/C15H18F6O5S.C13H12F6O7S.C12H10F6O8S.C12H14F6O7S.C12H14F6O5S.2C11H12F6O6S.C11H14F6O5S.C9H12F6O5S/c16-14(17,18)13(15(19,20)21,7-27(23,24)25)26-11(22)12-4-8-1-9(5-12)3-10(2-8)6-12;14-12(15,16)11(13(17,18)19,3-27(22,23)24)26-10(21)7-4-1-5-6(2-4)25-9(20)8(5)7;13-11(14,15)10(12(16,17)18,2-27(21,22)23)26-9(20)5-3-1-4-7(24-3)6(5)8(19)25-4;13-11(14,15)10(12(16,17)18,5-26(22,23)24)25-9(21)7-4-2-1-3-6(7)8(19)20;13-11(14,15)10(12(16,17)18,5-24(20,21)22)23-9(19)8-4-6-1-2-7(8)3-6;12-10(13,14)9(11(15,16)17,4-24(19,20)21)23-8(18)6-3-5-1-2-7(6)22-5;12-10(13,14)9(11(15,16)17,5-24(20,21)22)23-8(19)6-1-3-7(18)4-2-6;12-10(13,14)9(11(15,16)17,6-23(19,20)21)22-8(18)7-4-2-1-3-5-7;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19/h8-10H,1-7H2,(H,23,24,25);4-8H,1-3H2,(H,22,23,24);3-7H,1-2H2,(H,21,22,23);6-7H,1-5H2,(H,19,20)(H,22,23,24);6-8H,1-5H2,(H,20,21,22);5-7H,1-4H2,(H,19,20,21);6H,1-5H2,(H,20,21,22);7H,1-6H2,(H,19,20,21);4H2,1-3H3,(H,17,18,19)/p-9.
What are the key properties of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate?
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 3561.48 g/mol, XLogP of 16.47, 36 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxocyclohexanecarbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 162156354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).