About 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate
2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate (PubChem CID 159877321) has the molecular formula C101H130F27O54S9-9
and a molecular weight of 3009.65 g/mol. Its IUPAC name is 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
The IUPAC name of 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate (CID 159877321) is 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate.
What is the SMILES notation for 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
The canonical SMILES for 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate is CC(C)(C)C(=O)OC(C)(CS(=O)(=O)[O-])C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1C2CC3OC(=O)C1C3C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1C2CC3OC(=O)C1C3O2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CC2CCC1C2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CC2CCC1O2)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCC(=O)CC1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCCC1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCCCC1)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)C1CCCCC1C(=O)O)C(F)(F)F.
What is the InChIKey of 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
The InChIKey is NTBOLHZOXJCXAW-UHFFFAOYSA-E. The full InChI is InChI=1S/C13H15F3O7S.C12H13F3O8S.C12H17F3O7S.C12H17F3O5S.2C11H15F3O6S.C11H17F3O5S.C10H15F3O5S.C9H15F3O5S/c1-12(13(14,15)16,4-24(19,20)21)23-11(18)8-5-2-6-7(3-5)22-10(17)9(6)8;1-11(12(13,14)15,3-24(18,19)20)23-10(17)6-4-2-5-8(21-4)7(6)9(16)22-5;1-11(12(13,14)15,6-23(19,20)21)22-10(18)8-5-3-2-4-7(8)9(16)17;1-11(12(13,14)15,6-21(17,18)19)20-10(16)9-5-7-2-3-8(9)4-7;1-10(11(12,13)14,5-21(16,17)18)20-9(15)7-4-6-2-3-8(7)19-6;1-10(11(12,13)14,6-21(17,18)19)20-9(16)7-2-4-8(15)5-3-7;1-10(11(12,13)14,7-20(16,17)18)19-9(15)8-5-3-2-4-6-8;1-9(10(11,12)13,6-19(15,16)17)18-8(14)7-4-2-3-5-7;1-7(2,3)6(13)17-8(4,9(10,11)12)5-18(14,15)16/h5-9H,2-4H2,1H3,(H,19,20,21);4-8H,2-3H2,1H3,(H,18,19,20);7-8H,2-6H2,1H3,(H,16,17)(H,19,20,21);7-9H,2-6H2,1H3,(H,17,18,19);6-8H,2-5H2,1H3,(H,16,17,18);7H,2-6H2,1H3,(H,17,18,19);8H,2-7H2,1H3,(H,16,17,18);7H,2-6H2,1H3,(H,15,16,17);5H2,1-4H3,(H,14,15,16)/p-9.
What are the key properties of 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate?
2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate has a molecular weight of 3009.65 g/mol, XLogP of 10.56, 36 rotatable bonds, 1 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(cyclopentanecarbonyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;2-(2,2-dimethylpropanoyloxy)-3,3,3-trifluoro-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(7-oxabicyclo[2.2.1]heptane-2-carbonyloxy)propane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(4-oxocyclohexanecarbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;3,3,3-trifluoro-2-methyl-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate is sourced from PubChem (CID 159877321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).