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

C142H150F20O70S10-10 — CID 160714763

IUPAC2-[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
SMILESCOC(=O)c1ccccc1C(=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-])C1C2CC3OC(=O)C1C3C2.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(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=C1C2CC3CC1CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])CC1
InChIInChI=1S/C21H28F2O8S.C21H24F2O7S.C16H22F2O8S.C16H18F2O7S.C14H10F2O7S.C13H16F2O6S.C11H12F2O7S.C11H10F2O7S.C10H8F2O7S.C9H12F2O6S/c22-21(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;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;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;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;14-13(15,22(18,19)20)6-21-11(17)12-3-7-1-8(4-12)10(16)9(2-7)5-12;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7;1-19-9(14)7-4-2-3-5-8(7)10(15)20-6-11(12,13)21(16,17)18;11-10(12,20(16,17)18)5-19-9(15)7-4-2-1-3-6(7)8(13)14;10-9(11,18(14,15)16)5-17-8(13)6-1-3-7(12)4-2-6/h11-17H,1-10H2,(H,26,27,28);1-4,13-15H,5-12H2,(H,26,27,28);9-13H,1-8H2,(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);7-9H,1-6H2,(H,18,19,20);4-8H,1-3H2,(H,16,17,18);2-5H,6H2,1H3,(H,16,17,18);1-4H,5H2,(H,13,14)(H,16,17,18);6H,1-5H2,(H,14,15,16)/p-10
InChIKeyRSICVGQJRWHZDW-UHFFFAOYSA-D
MW3677.32 g/mol
LogP14.02
Rot. Bonds53

About 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

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 (PubChem CID 160714763) has the molecular formula C142H150F20O70S10-10 and a molecular weight of 3677.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160714763
Molecular FormulaC142H150F20O70S10-10
Molecular Weight3677.32 g/mol
Exact Mass3674.51
IUPAC Name2-[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
SMILESCOC(=O)c1ccccc1C(=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-])C1C2CC3OC(=O)C1C3C2.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(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=C1C2CC3CC1CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])CC1
InChIInChI=1S/C21H28F2O8S.C21H24F2O7S.C16H22F2O8S.C16H18F2O7S.C14H10F2O7S.C13H16F2O6S.C11H12F2O7S.C11H10F2O7S.C10H8F2O7S.C9H12F2O6S/c22-21(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;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;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;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;14-13(15,22(18,19)20)6-21-11(17)12-3-7-1-8(4-12)10(16)9(2-7)5-12;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7;1-19-9(14)7-4-2-3-5-8(7)10(15)20-6-11(12,13)21(16,17)18;11-10(12,20(16,17)18)5-19-9(15)7-4-2-1-3-6(7)8(13)14;10-9(11,18(14,15)16)5-17-8(13)6-1-3-7(12)4-2-6/h11-17H,1-10H2,(H,26,27,28);1-4,13-15H,5-12H2,(H,26,27,28);9-13H,1-8H2,(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);7-9H,1-6H2,(H,18,19,20);4-8H,1-3H2,(H,16,17,18);2-5H,6H2,1H3,(H,16,17,18);1-4H,5H2,(H,13,14)(H,16,17,18);6H,1-5H2,(H,14,15,16)/p-10
InChIKeyRSICVGQJRWHZDW-UHFFFAOYSA-D
XLogP14.02
TPSA1120.00 Ų
H-Bond Donors2
H-Bond Acceptors68
Rotatable Bonds53
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003677.32
LogP ≤ 514.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1068

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)c1ccccc1C(=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-])C1C2CC3OC(=O)C1C3C2.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(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=C1C2CC3CC1CC(C(=O)OCC(F)(F)S(=O)(=O)[O-])(C3)C2.O=C1CCC(C(=O)OCC(F)(F)S(=O)(=O)[O-])CC1.
What is the InChIKey of 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?
The InChIKey is RSICVGQJRWHZDW-UHFFFAOYSA-D. The full InChI is InChI=1S/C21H28F2O8S.C21H24F2O7S.C16H22F2O8S.C16H18F2O7S.C14H10F2O7S.C13H16F2O6S.C11H12F2O7S.C11H10F2O7S.C10H8F2O7S.C9H12F2O6S/c22-21(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;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;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;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;14-13(15,22(18,19)20)6-21-11(17)12-3-7-1-8(4-12)10(16)9(2-7)5-12;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7;1-19-9(14)7-4-2-3-5-8(7)10(15)20-6-11(12,13)21(16,17)18;11-10(12,20(16,17)18)5-19-9(15)7-4-2-1-3-6(7)8(13)14;10-9(11,18(14,15)16)5-17-8(13)6-1-3-7(12)4-2-6/h11-17H,1-10H2,(H,26,27,28);1-4,13-15H,5-12H2,(H,26,27,28);9-13H,1-8H2,(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);7-9H,1-6H2,(H,18,19,20);4-8H,1-3H2,(H,16,17,18);2-5H,6H2,1H3,(H,16,17,18);1-4H,5H2,(H,13,14)(H,16,17,18);6H,1-5H2,(H,14,15,16)/p-10.
What are the key properties of 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?
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 has a molecular weight of 3677.32 g/mol, XLogP of 14.02, 53 rotatable bonds, 2 hydrogen bond donors, and 68 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)-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 is sourced from PubChem (CID 160714763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).