2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

C109H88F24I11O53S7-7 — CID 158257869

IUPAC2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESCC(CS(=O)(=O)[O-])(OC(=O)c1c(I)cc(I)c(O)c1I)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc(I)cc(I)c1O)C(F)(F)F.CC(F)(F)COC(=O)CCCOC(=O)c1ccc(I)cc1.O=C(CCOC(=O)c1cccc(I)c1)OCCS(=O)(=O)[O-].O=C(COC(=O)c1cccc(I)c1)OCC(F)(F)S(=O)(=O)[O-].O=C(COC(=O)c1ccccc1I)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)c(OC(=O)C2C3CC4OC(=O)C2C4C3)c1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)c(OC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C20H15F6IO9S.C19H17F6IO7S.C14H15F2IO4.C12H13IO7S.C11H8F3I3O6S.C11H9F3I2O6S.2C11H9F2IO7S/c21-19(22,23)18(20(24,25)26,6-37(31,32)33)36-15(28)7-1-2-10(27)12(4-7)35-16(29)13-8-3-9-11(5-8)34-17(30)14(9)13;20-18(21,22)17(19(23,24)25,8-34(29,30)31)33-15(27)11-3-4-13(26)14(7-11)32-16(28)12-6-9-1-2-10(12)5-9;1-14(15,16)9-21-12(18)3-2-8-20-13(19)10-4-6-11(17)7-5-10;13-10-3-1-2-9(8-10)12(15)20-5-4-11(14)19-6-7-21(16,17)18;1-10(11(12,13)14,3-24(20,21)22)23-9(19)6-4(15)2-5(16)8(18)7(6)17;1-10(11(12,13)14,4-23(19,20)21)22-9(18)6-2-5(15)3-7(16)8(6)17;12-11(13,22(17,18)19)6-21-9(15)5-20-10(16)7-2-1-3-8(14)4-7;12-11(13,22(17,18)19)6-21-9(15)5-20-10(16)7-3-1-2-4-8(7)14/h1-2,4,8-9,11,13-14H,3,5-6H2,(H,31,32,33);3-4,7,9-10,12H,1-2,5-6,8H2,(H,29,30,31);4-7H,2-3,8-9H2,1H3;1-3,8H,4-7H2,(H,16,17,18);2,18H,3H2,1H3,(H,20,21,22);2-3,17H,4H2,1H3,(H,19,20,21);2*1-4H,5-6H2,(H,17,18,19)/p-7
InChIKeyGHMRSNSONLHNJF-UHFFFAOYSA-G
MW4322.21 g/mol
LogP19.62
Rot. Bonds46

About 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate

2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (PubChem CID 158257869) has the molecular formula C109H88F24I11O53S7-7 and a molecular weight of 4322.21 g/mol. Its IUPAC name is 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.

Molecular Properties

Compound Name2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
PubChem CID158257869
Molecular FormulaC109H88F24I11O53S7-7
Molecular Weight4322.21 g/mol
Exact Mass4320.14
IUPAC Name2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate
SMILESCC(CS(=O)(=O)[O-])(OC(=O)c1c(I)cc(I)c(O)c1I)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc(I)cc(I)c1O)C(F)(F)F.CC(F)(F)COC(=O)CCCOC(=O)c1ccc(I)cc1.O=C(CCOC(=O)c1cccc(I)c1)OCCS(=O)(=O)[O-].O=C(COC(=O)c1cccc(I)c1)OCC(F)(F)S(=O)(=O)[O-].O=C(COC(=O)c1ccccc1I)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)c(OC(=O)C2C3CC4OC(=O)C2C4C3)c1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)c(OC(=O)C2CC3CCC2C3)c1
InChIInChI=1S/C20H15F6IO9S.C19H17F6IO7S.C14H15F2IO4.C12H13IO7S.C11H8F3I3O6S.C11H9F3I2O6S.2C11H9F2IO7S/c21-19(22,23)18(20(24,25)26,6-37(31,32)33)36-15(28)7-1-2-10(27)12(4-7)35-16(29)13-8-3-9-11(5-8)34-17(30)14(9)13;20-18(21,22)17(19(23,24)25,8-34(29,30)31)33-15(27)11-3-4-13(26)14(7-11)32-16(28)12-6-9-1-2-10(12)5-9;1-14(15,16)9-21-12(18)3-2-8-20-13(19)10-4-6-11(17)7-5-10;13-10-3-1-2-9(8-10)12(15)20-5-4-11(14)19-6-7-21(16,17)18;1-10(11(12,13)14,3-24(20,21)22)23-9(19)6-4(15)2-5(16)8(18)7(6)17;1-10(11(12,13)14,4-23(19,20)21)22-9(18)6-2-5(15)3-7(16)8(6)17;12-11(13,22(17,18)19)6-21-9(15)5-20-10(16)7-2-1-3-8(14)4-7;12-11(13,22(17,18)19)6-21-9(15)5-20-10(16)7-3-1-2-4-8(7)14/h1-2,4,8-9,11,13-14H,3,5-6H2,(H,31,32,33);3-4,7,9-10,12H,1-2,5-6,8H2,(H,29,30,31);4-7H,2-3,8-9H2,1H3;1-3,8H,4-7H2,(H,16,17,18);2,18H,3H2,1H3,(H,20,21,22);2-3,17H,4H2,1H3,(H,19,20,21);2*1-4H,5-6H2,(H,17,18,19)/p-7
InChIKeyGHMRSNSONLHNJF-UHFFFAOYSA-G
XLogP19.62
TPSA835.36 Ų
H-Bond Donors2
H-Bond Acceptors53
Rotatable Bonds46
Heavy Atoms204
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004322.21
LogP ≤ 519.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

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

Analyze 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The IUPAC name of 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate (CID 158257869) is 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate.
What is the SMILES notation for 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The canonical SMILES for 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is CC(CS(=O)(=O)[O-])(OC(=O)c1c(I)cc(I)c(O)c1I)C(F)(F)F.CC(CS(=O)(=O)[O-])(OC(=O)c1cc(I)cc(I)c1O)C(F)(F)F.CC(F)(F)COC(=O)CCCOC(=O)c1ccc(I)cc1.O=C(CCOC(=O)c1cccc(I)c1)OCCS(=O)(=O)[O-].O=C(COC(=O)c1cccc(I)c1)OCC(F)(F)S(=O)(=O)[O-].O=C(COC(=O)c1ccccc1I)OCC(F)(F)S(=O)(=O)[O-].O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)c(OC(=O)C2C3CC4OC(=O)C2C4C3)c1.O=C(OC(CS(=O)(=O)[O-])(C(F)(F)F)C(F)(F)F)c1ccc(I)c(OC(=O)C2CC3CCC2C3)c1.
What is the InChIKey of 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
The InChIKey is GHMRSNSONLHNJF-UHFFFAOYSA-G. The full InChI is InChI=1S/C20H15F6IO9S.C19H17F6IO7S.C14H15F2IO4.C12H13IO7S.C11H8F3I3O6S.C11H9F3I2O6S.2C11H9F2IO7S/c21-19(22,23)18(20(24,25)26,6-37(31,32)33)36-15(28)7-1-2-10(27)12(4-7)35-16(29)13-8-3-9-11(5-8)34-17(30)14(9)13;20-18(21,22)17(19(23,24)25,8-34(29,30)31)33-15(27)11-3-4-13(26)14(7-11)32-16(28)12-6-9-1-2-10(12)5-9;1-14(15,16)9-21-12(18)3-2-8-20-13(19)10-4-6-11(17)7-5-10;13-10-3-1-2-9(8-10)12(15)20-5-4-11(14)19-6-7-21(16,17)18;1-10(11(12,13)14,3-24(20,21)22)23-9(19)6-4(15)2-5(16)8(18)7(6)17;1-10(11(12,13)14,4-23(19,20)21)22-9(18)6-2-5(15)3-7(16)8(6)17;12-11(13,22(17,18)19)6-21-9(15)5-20-10(16)7-2-1-3-8(14)4-7;12-11(13,22(17,18)19)6-21-9(15)5-20-10(16)7-3-1-2-4-8(7)14/h1-2,4,8-9,11,13-14H,3,5-6H2,(H,31,32,33);3-4,7,9-10,12H,1-2,5-6,8H2,(H,29,30,31);4-7H,2-3,8-9H2,1H3;1-3,8H,4-7H2,(H,16,17,18);2,18H,3H2,1H3,(H,20,21,22);2-3,17H,4H2,1H3,(H,19,20,21);2*1-4H,5-6H2,(H,17,18,19)/p-7.
What are the key properties of 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate?
2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate has a molecular weight of 4322.21 g/mol, XLogP of 19.62, 46 rotatable bonds, 2 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(bicyclo[2.2.1]heptane-2-carbonyloxy)-4-iodobenzoyl]oxy-3,3,3-trifluoro-2-(trifluoromethyl)propane-1-sulfonate;1,1-difluoro-2-[2-(2-iodobenzoyl)oxyacetyl]oxyethanesulfonate;1,1-difluoro-2-[2-(3-iodobenzoyl)oxyacetyl]oxyethanesulfonate;[4-(2,2-difluoropropoxy)-4-oxobutyl] 4-iodobenzoate;2-[3-(3-iodobenzoyl)oxypropanoyloxy]ethanesulfonate;3,3,3-trifluoro-2-(2-hydroxy-3,5-diiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-(3-hydroxy-2,4,6-triiodobenzoyl)oxy-2-methylpropane-1-sulfonate;3,3,3-trifluoro-2-[4-iodo-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxybenzoyl]oxy-2-(trifluoromethyl)propane-1-sulfonate is sourced from PubChem (CID 158257869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).