2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate

C240H280F32O116S16-16 — CID 159909332

IUPAC2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate
SMILESCOC(=O)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].COC(=O)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)c1cc2ccccc2cc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(OC1=O)C2C3.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(O2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1C(=O)OC1CCCCC1.O=C(OCC12CC3CC(CC(C3)C1)C2)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C1CCCCC1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C22H30F2O7S.C21H28F2O8S.C21H30F2O7S.C21H24F2O7S.C17H24F2O7S.C16H22F2O8S.C16H24F2O7S.C16H18F2O7S.C14H10F2O7S.C12H16F2O7S.C11H14F2O8S.C11H12F2O7S.C11H14F2O7S.C11H10F2O7S.C10H12F2O8S.C10H8F2O7S/c23-22(24,32(27,28)29)11-31-20(26)18-16-2-1-15(6-16)17(18)19(25)30-10-21-7-12-3-13(8-21)5-14(4-12)9-21;22-21(23,32(26,27)28)10-30-19(25)17-15-2-1-14(31-15)16(17)18(24)29-9-20-6-11-3-12(7-20)5-13(4-11)8-20;2*22-21(23,31(26,27)28)12-30-19(25)17-4-2-1-3-16(17)18(24)29-11-20-8-13-5-14(9-20)7-15(6-13)10-20;18-17(19,27(22,23)24)9-25-15(20)13-10-6-7-11(8-10)14(13)16(21)26-12-4-2-1-3-5-12;17-16(18,27(21,22)23)8-24-14(19)12-10-6-7-11(26-10)13(12)15(20)25-9-4-2-1-3-5-9;2*17-16(18,26(21,22)23)10-24-14(19)12-8-4-5-9-13(12)15(20)25-11-6-2-1-3-7-11;15-14(16,24(20,21)22)7-23-13(19)11-6-9-4-2-1-3-8(9)5-10(11)12(17)18;1-20-10(15)8-6-2-3-7(4-6)9(8)11(16)21-5-12(13,14)22(17,18)19;1-19-9(14)7-5-2-3-6(21-5)8(7)10(15)20-4-11(12,13)22(16,17)18;12-11(13,21(16,17)18)4-19-8(14)10-3-5-1-6(10)7(2-5)20-9(10)15;12-11(13,21(17,18)19)4-20-10(16)8-6-2-1-5(3-6)7(8)9(14)15;1-19-9(14)7-4-2-3-5-8(7)10(15)20-6-11(12,13)21(16,17)18;11-10(12,21(16,17)18)3-19-9(15)7-5-2-1-4(20-5)6(7)8(13)14;11-10(12,20(16,17)18)5-19-9(15)7-4-2-1-3-6(7)8(13)14/h12-18H,1-11H2,(H,27,28,29);11-17H,1-10H2,(H,26,27,28);13-17H,1-12H2,(H,26,27,28);1-4,13-15H,5-12H2,(H,26,27,28);10-14H,1-9H2,(H,22,23,24);9-13H,1-8H2,(H,21,22,23);11-13H,1-10H2,(H,21,22,23);4-5,8-9,11H,1-3,6-7,10H2,(H,21,22,23);1-6H,7H2,(H,17,18)(H,20,21,22);6-9H,2-5H2,1H3,(H,17,18,19);5-8H,2-4H2,1H3,(H,16,17,18);5-7H,1-4H2,(H,16,17,18);5-8H,1-4H2,(H,14,15)(H,17,18,19);2-5H,6H2,1H3,(H,16,17,18);4-7H,1-3H2,(H,13,14)(H,16,17,18);1-4H,5H2,(H,13,14)(H,16,17,18)/p-16
InChIKeyNWZDVCNGTRLROQ-UHFFFAOYSA-A
MW6141.77 g/mol
LogP23.65
Rot. Bonds91

About 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate

2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate (PubChem CID 159909332) has the molecular formula C240H280F32O116S16-16 and a molecular weight of 6141.77 g/mol. Its IUPAC name is 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate.

Molecular Properties

Compound Name2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate
PubChem CID159909332
Molecular FormulaC240H280F32O116S16-16
Molecular Weight6141.77 g/mol
Exact Mass6137.11
IUPAC Name2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate
SMILESCOC(=O)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].COC(=O)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)c1cc2ccccc2cc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(OC1=O)C2C3.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(O2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1C(=O)OC1CCCCC1.O=C(OCC12CC3CC(CC(C3)C1)C2)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C1CCCCC1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-]
InChIInChI=1S/C22H30F2O7S.C21H28F2O8S.C21H30F2O7S.C21H24F2O7S.C17H24F2O7S.C16H22F2O8S.C16H24F2O7S.C16H18F2O7S.C14H10F2O7S.C12H16F2O7S.C11H14F2O8S.C11H12F2O7S.C11H14F2O7S.C11H10F2O7S.C10H12F2O8S.C10H8F2O7S/c23-22(24,32(27,28)29)11-31-20(26)18-16-2-1-15(6-16)17(18)19(25)30-10-21-7-12-3-13(8-21)5-14(4-12)9-21;22-21(23,32(26,27)28)10-30-19(25)17-15-2-1-14(31-15)16(17)18(24)29-9-20-6-11-3-12(7-20)5-13(4-11)8-20;2*22-21(23,31(26,27)28)12-30-19(25)17-4-2-1-3-16(17)18(24)29-11-20-8-13-5-14(9-20)7-15(6-13)10-20;18-17(19,27(22,23)24)9-25-15(20)13-10-6-7-11(8-10)14(13)16(21)26-12-4-2-1-3-5-12;17-16(18,27(21,22)23)8-24-14(19)12-10-6-7-11(26-10)13(12)15(20)25-9-4-2-1-3-5-9;2*17-16(18,26(21,22)23)10-24-14(19)12-8-4-5-9-13(12)15(20)25-11-6-2-1-3-7-11;15-14(16,24(20,21)22)7-23-13(19)11-6-9-4-2-1-3-8(9)5-10(11)12(17)18;1-20-10(15)8-6-2-3-7(4-6)9(8)11(16)21-5-12(13,14)22(17,18)19;1-19-9(14)7-5-2-3-6(21-5)8(7)10(15)20-4-11(12,13)22(16,17)18;12-11(13,21(16,17)18)4-19-8(14)10-3-5-1-6(10)7(2-5)20-9(10)15;12-11(13,21(17,18)19)4-20-10(16)8-6-2-1-5(3-6)7(8)9(14)15;1-19-9(14)7-4-2-3-5-8(7)10(15)20-6-11(12,13)21(16,17)18;11-10(12,21(16,17)18)3-19-9(15)7-5-2-1-4(20-5)6(7)8(13)14;11-10(12,20(16,17)18)5-19-9(15)7-4-2-1-3-6(7)8(13)14/h12-18H,1-11H2,(H,27,28,29);11-17H,1-10H2,(H,26,27,28);13-17H,1-12H2,(H,26,27,28);1-4,13-15H,5-12H2,(H,26,27,28);10-14H,1-9H2,(H,22,23,24);9-13H,1-8H2,(H,21,22,23);11-13H,1-10H2,(H,21,22,23);4-5,8-9,11H,1-3,6-7,10H2,(H,21,22,23);1-6H,7H2,(H,17,18)(H,20,21,22);6-9H,2-5H2,1H3,(H,17,18,19);5-8H,2-4H2,1H3,(H,16,17,18);5-7H,1-4H2,(H,16,17,18);5-8H,1-4H2,(H,14,15)(H,17,18,19);2-5H,6H2,1H3,(H,16,17,18);4-7H,1-3H2,(H,13,14)(H,16,17,18);1-4H,5H2,(H,13,14)(H,16,17,18)/p-16
InChIKeyNWZDVCNGTRLROQ-UHFFFAOYSA-A
XLogP23.65
TPSA1837.72 Ų
H-Bond Donors4
H-Bond Acceptors112
Rotatable Bonds91
Heavy Atoms404
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006141.77
LogP ≤ 523.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 10112

Analyze 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate with MolForge

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Related Compounds

2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(4-oxoadamantane-1-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(4-oxocyclohexanecarbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate
CID 160714763
2-(cyclohexanecarbonyloxy)-1,1-difluoroethanesulfonate;[4-(2-methylprop-2-enoyloxy)phenyl]-diphenylsulfanium
CID 172791734
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-benzoyloxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;2-[(2-carboxybenzoyl)oxymethyl]-1,1,1,3,3,3-hexafluoropropane-2-sulfonate;3,3,3-trifluoro-2-(4-hydroxyadamantane-1-carbonyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(2-hydroxybenzoyl)oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxy-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(naphthalene-2-carbonyloxy)-2-(trifluoromethyl)propane-1-sulfonate;3,3,3-trifluoro-2-(4-oxoadamantane-1-carbonyl)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 160967072
2-(adamantane-1-carbonyloxy)-1,1-difluoropropane-1-sulfonate;2-benzoyloxy-1,1-difluoropropane-1-sulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-(4-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1-difluoro-2-(2-hydroxybenzoyl)oxypropane-1-sulfonate;1,1-difluoro-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]cyclohexanecarbonyl]oxypropane-1-sulfonate;1,1-difluoro-2-(naphthalene-2-carbonyloxy)propane-1-sulfonate;1,1-difluoro-2-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate
CID 165049008
2-O-(1-adamantylmethyl) 1-O-propyl benzene-1,2-dicarboxylate
CID 6423322
1-adamantylmethyl 2-bromobenzoate
CID 585244
tris(2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate);2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-bicyclo[2.2.1]heptanyl)-1,1-difluoroethanesulfonate;bis((4-tert-butylphenyl)-diphenylsulfanium);2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(2-carboxycyclohexanecarbonyl)oxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;bis((4-methylphenyl)-diphenylsulfanium);1,1,3,3,3-pentafluoro-2-(3-hydroxyadamantane-1-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate;1,1,3,3,3-pentafluoro-2-(tetracyclo[6.2.1.13,6.02,7]dodecane-4-carbonyloxy)propane-1-sulfonate;octakis(triphenylsulfanium)
CID 160716798
(1S,2R,3S,4S)-3-[(2-methoxycarbonylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124581474
dicyclohexyl benzene-1,2-dicarboxylate;2-methoxy-2-methylpropane
CID 67920128
1,1-difluoro-2-[5-(2,3,5-triiodobenzoyl)oxybicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate
CID 140828195
1,1-difluoro-2-[2-(2-methylprop-2-enoyloxy)acetyl]oxyethanesulfonate;1,1-difluoro-2-[6-(2-methylprop-2-enoyloxy)bicyclo[2.2.1]heptane-2-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[[5-(2-methylprop-2-enoyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)butoxy]-2-oxoethanesulfonate;1,1-difluoro-2-[4-(2-methylprop-2-enoyloxy)cyclohexyl]oxy-2-oxoethanesulfonate;1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)cyclopentyl]oxy-2-oxoethanesulfonate;hexakis(triphenylsulfanium)
CID 162039345
1,1-difluoro-2-[3-(2-methylprop-2-enoyloxy)adamantane-1-carbonyl]oxyethanesulfonate;1,1-difluoro-2-[5-(2-methylprop-2-enoyloxy)-3-oxo-2-oxatricyclo[3.2.1.11,4]nonane-7-carbonyl]oxyethanesulfonate;bis(triphenylsulfanium)
CID 158292451

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate?
The IUPAC name of 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate (CID 159909332) is 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate.
What is the SMILES notation for 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate?
The canonical SMILES for 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate is COC(=O)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].COC(=O)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)c1cc2ccccc2cc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(O)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(OC1=O)C2C3.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(O2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1CCCCC1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccccc1C(=O)OC1CCCCC1.O=C(OCC12CC3CC(CC(C3)C1)C2)C1C2CCC(C2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C1C2CCC(O2)C1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)C1CCCCC1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=C(OCC12CC3CC(CC(C3)C1)C2)c1ccccc1C(=O)OCC(F)(F)S(=O)(=O)[O-].
What is the InChIKey of 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate?
The InChIKey is NWZDVCNGTRLROQ-UHFFFAOYSA-A. The full InChI is InChI=1S/C22H30F2O7S.C21H28F2O8S.C21H30F2O7S.C21H24F2O7S.C17H24F2O7S.C16H22F2O8S.C16H24F2O7S.C16H18F2O7S.C14H10F2O7S.C12H16F2O7S.C11H14F2O8S.C11H12F2O7S.C11H14F2O7S.C11H10F2O7S.C10H12F2O8S.C10H8F2O7S/c23-22(24,32(27,28)29)11-31-20(26)18-16-2-1-15(6-16)17(18)19(25)30-10-21-7-12-3-13(8-21)5-14(4-12)9-21;22-21(23,32(26,27)28)10-30-19(25)17-15-2-1-14(31-15)16(17)18(24)29-9-20-6-11-3-12(7-20)5-13(4-11)8-20;2*22-21(23,31(26,27)28)12-30-19(25)17-4-2-1-3-16(17)18(24)29-11-20-8-13-5-14(9-20)7-15(6-13)10-20;18-17(19,27(22,23)24)9-25-15(20)13-10-6-7-11(8-10)14(13)16(21)26-12-4-2-1-3-5-12;17-16(18,27(21,22)23)8-24-14(19)12-10-6-7-11(26-10)13(12)15(20)25-9-4-2-1-3-5-9;2*17-16(18,26(21,22)23)10-24-14(19)12-8-4-5-9-13(12)15(20)25-11-6-2-1-3-7-11;15-14(16,24(20,21)22)7-23-13(19)11-6-9-4-2-1-3-8(9)5-10(11)12(17)18;1-20-10(15)8-6-2-3-7(4-6)9(8)11(16)21-5-12(13,14)22(17,18)19;1-19-9(14)7-5-2-3-6(21-5)8(7)10(15)20-4-11(12,13)22(16,17)18;12-11(13,21(16,17)18)4-19-8(14)10-3-5-1-6(10)7(2-5)20-9(10)15;12-11(13,21(17,18)19)4-20-10(16)8-6-2-1-5(3-6)7(8)9(14)15;1-19-9(14)7-4-2-3-5-8(7)10(15)20-6-11(12,13)21(16,17)18;11-10(12,21(16,17)18)3-19-9(15)7-5-2-1-4(20-5)6(7)8(13)14;11-10(12,20(16,17)18)5-19-9(15)7-4-2-1-3-6(7)8(13)14/h12-18H,1-11H2,(H,27,28,29);11-17H,1-10H2,(H,26,27,28);13-17H,1-12H2,(H,26,27,28);1-4,13-15H,5-12H2,(H,26,27,28);10-14H,1-9H2,(H,22,23,24);9-13H,1-8H2,(H,21,22,23);11-13H,1-10H2,(H,21,22,23);4-5,8-9,11H,1-3,6-7,10H2,(H,21,22,23);1-6H,7H2,(H,17,18)(H,20,21,22);6-9H,2-5H2,1H3,(H,17,18,19);5-8H,2-4H2,1H3,(H,16,17,18);5-7H,1-4H2,(H,16,17,18);5-8H,1-4H2,(H,14,15)(H,17,18,19);2-5H,6H2,1H3,(H,16,17,18);4-7H,1-3H2,(H,13,14)(H,16,17,18);1-4H,5H2,(H,13,14)(H,16,17,18)/p-16.
What are the key properties of 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate?
2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate has a molecular weight of 6141.77 g/mol, XLogP of 23.65, 91 rotatable bonds, 4 hydrogen bond donors, and 112 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-adamantylmethoxycarbonyl)benzoyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)bicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-[2-(1-adamantylmethoxycarbonyl)cyclohexanecarbonyl]oxy-1,1-difluoroethanesulfonate;2-[3-(1-adamantylmethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carbonyl]oxy-1,1-difluoroethanesulfonate;2-(2-carboxybenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxybicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxynaphthalene-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-carboxy-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylbenzoyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;2-(2-cyclohexyloxycarbonylcyclohexanecarbonyl)oxy-1,1-difluoroethanesulfonate;2-(3-cyclohexyloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate;1,1-difluoro-2-(2-methoxycarbonylbenzoyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(3-methoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate;1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-6-carbonyl)oxyethanesulfonate is sourced from PubChem (CID 159909332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).