About 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate
3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate (PubChem CID 159513925) has the molecular formula C124H85F30I19O48-10
and a molecular weight of 5324.11 g/mol. Its IUPAC name is 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate.
Frequently Asked Questions
What is the IUPAC name of 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate?
The IUPAC name of 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate (CID 159513925) is 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate.
What is the SMILES notation for 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate?
The canonical SMILES for 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate is CC(O)(c1cc(I)c(O)c(I)c1)C(F)(F)C(=O)[O-].COCCOc1c(I)cc(C(O)C(F)(F)C(=O)[O-])cc1I.COCCOc1c(I)cc(C(OCCOC)C(F)C(=O)[O-])cc1I.O=C(OC(c1cc(I)c(O)c(I)c1)C(F)(F)C(=O)[O-])C(F)(F)F.O=C(OC(c1cc(I)c(O)c(I)c1)C(F)(F)C(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(c1ccc(I)o1)C(F)(F)C(=O)[O-])C(F)(F)F.O=C(OCC(C(=O)[O-])C(F)(F)F)c1cc(I)cc(I)c1OC(=O)C(F)(F)F.O=C([O-])C(COc1c(I)cc(I)cc1I)C(F)(F)F.O=C([O-])C(F)(F)C(O)(c1cc(I)c(O)c(I)c1)c1cc2ccccc2o1.O=C([O-])C(F)(F)C(O)c1ccc(I)o1.
What is the InChIKey of 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate?
The InChIKey is MAYCKSXQZWZQHJ-UHFFFAOYSA-D. The full InChI is InChI=1S/C20H20F2I2O5.C17H10F2I2O5.C15H19FI2O6.C13H6F6I2O6.C12H12F2I2O5.C11H5F5I2O5.C10H6F3I3O3.C10H8F2I2O4.C9H4F5IO5.C7H5F2IO4/c21-20(22,17(26)27)16(12-4-13(23)15(25)14(24)5-12)29-18(28)19-6-9-1-10(7-19)3-11(2-9)8-19;18-17(19,15(23)24)16(25,9-6-10(20)14(22)11(21)7-9)13-5-8-3-1-2-4-12(8)26-13;1-21-3-5-23-13(12(16)15(19)20)9-7-10(17)14(11(18)8-9)24-6-4-22-2;14-12(15,16)6(9(22)23)3-26-10(24)5-1-4(20)2-7(21)8(5)27-11(25)13(17,18)19;1-20-2-3-21-9-7(15)4-6(5-8(9)16)10(17)12(13,14)11(18)19;12-10(13,8(20)21)7(23-9(22)11(14,15)16)3-1-4(17)6(19)5(18)2-3;11-10(12,13)5(9(17)18)3-19-8-6(15)1-4(14)2-7(8)16;1-9(18,10(11,12)8(16)17)4-2-5(13)7(15)6(14)3-4;10-8(11,6(16)17)5(3-1-2-4(15)19-3)20-7(18)9(12,13)14;8-7(9,6(12)13)5(11)3-1-2-4(10)14-3/h4-5,9-11,16,25H,1-3,6-8H2,(H,26,27);1-7,22,25H,(H,23,24);7-8,12-13H,3-6H2,1-2H3,(H,19,20);1-2,6H,3H2,(H,22,23);4-5,10,17H,2-3H2,1H3,(H,18,19);1-2,7,19H,(H,20,21);1-2,5H,3H2,(H,17,18);2-3,15,18H,1H3,(H,16,17);1-2,5H,(H,16,17);1-2,5,11H,(H,12,13)/p-10.
What are the key properties of 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate?
3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate has a molecular weight of 5324.11 g/mol, XLogP of 20.11, 50 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(adamantane-1-carbonyloxy)-2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)propanoate;3-(1-benzofuran-2-yl)-2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)propanoate;2,2-difluoro-3-(4-hydroxy-3,5-diiodophenyl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;2,2-difluoro-3-hydroxy-3-(4-hydroxy-3,5-diiodophenyl)butanoate;2,2-difluoro-3-hydroxy-3-(5-iodofuran-2-yl)propanoate;2,2-difluoro-3-(5-iodofuran-2-yl)-3-(2,2,2-trifluoroacetyl)oxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2,2-difluoro-3-hydroxypropanoate;3-[3,5-diiodo-4-(2-methoxyethoxy)phenyl]-2-fluoro-3-(2-methoxyethoxy)propanoate;2-[[3,5-diiodo-2-(2,2,2-trifluoroacetyl)oxybenzoyl]oxymethyl]-3,3,3-trifluoropropanoate;3,3,3-trifluoro-2-[(2,4,6-triiodophenoxy)methyl]propanoate is sourced from PubChem (CID 159513925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).