About 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 159744587) has the molecular formula C111H125F52NO51S10-10
and a molecular weight of 3597.74 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate.
Frequently Asked Questions
What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate (CID 159744587) is 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-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-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate is C.C.C.CC(C)(C)C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F.CC(OC(=O)C1CCCCC1C(=O)O)C(F)(F)S(=O)(=O)[O-].CC(OC(=O)CCNc1ccccc1)C(F)(F)S(=O)(=O)[O-].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)C1CC2CC1C1C3C=CC(C3)C21.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)C1CCCCC1.O=C1C2CC3CC1CC(C(=O)OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)(C3)C2.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.
What is the InChIKey of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is NCWQGEWUIHYMFB-UHFFFAOYSA-D. The full InChI is InChI=1S/C17H18F6O5S.C15H16F6O6S.C15H18F6O5S.C13H12F6O7S.C12H15F2NO5S.C11H14F6O5S.C11H16F2O7S.C9H12F6O5S.C4HF9O3S.CHF3O3S.3CH4/c18-16(19,20)15(17(21,22)23,6-29(25,26)27)28-14(24)11-5-9-4-10(11)13-8-2-1-7(3-8)12(9)13;16-14(17,18)13(15(19,20)21,6-28(24,25)26)27-11(23)12-3-7-1-8(4-12)10(22)9(2-7)5-12;16-14(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;1-9(12(13,14)21(17,18)19)20-11(16)7-8-15-10-5-3-2-4-6-10;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(11(12,13)21(17,18)19)20-10(16)8-5-3-2-4-7(8)9(14)15;1-6(2,3)5(16)20-7(8(10,11)12,9(13,14)15)4-21(17,18)19;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;2-1(3,4)8(5,6)7;;;/h1-2,7-13H,3-6H2,(H,25,26,27);7-9H,1-6H2,(H,24,25,26);8-10H,1-7H2,(H,23,24,25);4-8H,1-3H2,(H,22,23,24);2-6,9,15H,7-8H2,1H3,(H,17,18,19);7H,1-6H2,(H,19,20,21);6-8H,2-5H2,1H3,(H,14,15)(H,17,18,19);4H2,1-3H3,(H,17,18,19);(H,14,15,16);(H,5,6,7);3*1H4/p-10.
What are the key properties of 2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate?
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 3597.74 g/mol, XLogP of 20.58, 38 rotatable bonds, 2 hydrogen bond donors, and 51 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-(3-anilinopropanoyloxy)-1,1-difluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1-difluoropropane-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;methane;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate;trifluoromethanesulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-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;3,3,3-trifluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 159744587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).