2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate

C112H95F21I18O50S8-8 — CID 160685097

IUPAC2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate
SMILESC=CCOc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.C=COc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.CC(C)(C)OC(=O)Oc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.COCOc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.O=C(CS(=O)(=O)[O-])Oc1cccc(O)c1I.O=C(Oc1c(I)cc(I)cc1I)C1C2C=CC(CC2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)C1C2CCC(C2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)C1C2CCC(CC2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F
InChIInChI=1S/C19H18F3I3O7S.C19H16F3I3O7S.C18H16F3I3O7S.C14H15F3I2O7S.C12H11F3I2O5S.C11H11F3I2O6S.C11H9F3I2O5S.C8H7IO6S/c2*20-19(21,22)13(7-33(28,29)30)31-17(26)14-8-1-3-9(4-2-8)15(14)18(27)32-16-11(24)5-10(23)6-12(16)25;19-18(20,21)12(6-32(27,28)29)30-16(25)13-7-1-2-8(3-7)14(13)17(26)31-15-10(23)4-9(22)5-11(15)24;1-13(2,3)26-12(20)25-11-8(18)4-7(5-9(11)19)24-10(14(15,16)17)6-27(21,22)23;1-2-3-21-11-8(16)4-7(5-9(11)17)22-10(12(13,14)15)6-23(18,19)20;1-20-5-21-10-7(15)2-6(3-8(10)16)22-9(11(12,13)14)4-23(17,18)19;1-2-20-10-7(15)3-6(4-8(10)16)21-9(11(12,13)14)5-22(17,18)19;9-8-5(10)2-1-3-6(8)15-7(11)4-16(12,13)14/h5-6,8-9,13-15H,1-4,7H2,(H,28,29,30);1,3,5-6,8-9,13-15H,2,4,7H2,(H,28,29,30);4-5,7-8,12-14H,1-3,6H2,(H,27,28,29);4-5,10H,6H2,1-3H3,(H,21,22,23);2,4-5,10H,1,3,6H2,(H,18,19,20);2-3,9H,4-5H2,1H3,(H,17,18,19);2-4,9H,1,5H2,(H,17,18,19);1-3,10H,4H2,(H,12,13,14)/p-8
InChIKeyROQSTSQADJLHSD-UHFFFAOYSA-F
MW5180.71 g/mol
LogP26.65
Rot. Bonds46

About 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate

2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate (PubChem CID 160685097) has the molecular formula C112H95F21I18O50S8-8 and a molecular weight of 5180.71 g/mol. Its IUPAC name is 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate.

Molecular Properties

Compound Name2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate
PubChem CID160685097
Molecular FormulaC112H95F21I18O50S8-8
Molecular Weight5180.71 g/mol
Exact Mass5178.52
IUPAC Name2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate
SMILESC=CCOc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.C=COc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.CC(C)(C)OC(=O)Oc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.COCOc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.O=C(CS(=O)(=O)[O-])Oc1cccc(O)c1I.O=C(Oc1c(I)cc(I)cc1I)C1C2C=CC(CC2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)C1C2CCC(C2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)C1C2CCC(CC2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F
InChIInChI=1S/C19H18F3I3O7S.C19H16F3I3O7S.C18H16F3I3O7S.C14H15F3I2O7S.C12H11F3I2O5S.C11H11F3I2O6S.C11H9F3I2O5S.C8H7IO6S/c2*20-19(21,22)13(7-33(28,29)30)31-17(26)14-8-1-3-9(4-2-8)15(14)18(27)32-16-11(24)5-10(23)6-12(16)25;19-18(20,21)12(6-32(27,28)29)30-16(25)13-7-1-2-8(3-7)14(13)17(26)31-15-10(23)4-9(22)5-11(15)24;1-13(2,3)26-12(20)25-11-8(18)4-7(5-9(11)19)24-10(14(15,16)17)6-27(21,22)23;1-2-3-21-11-8(16)4-7(5-9(11)17)22-10(12(13,14)15)6-23(18,19)20;1-20-5-21-10-7(15)2-6(3-8(10)16)22-9(11(12,13)14)4-23(17,18)19;1-2-20-10-7(15)3-6(4-8(10)16)21-9(11(12,13)14)5-22(17,18)19;9-8-5(10)2-1-3-6(8)15-7(11)4-16(12,13)14/h5-6,8-9,13-15H,1-4,7H2,(H,28,29,30);1,3,5-6,8-9,13-15H,2,4,7H2,(H,28,29,30);4-5,7-8,12-14H,1-3,6H2,(H,27,28,29);4-5,10H,6H2,1-3H3,(H,21,22,23);2,4-5,10H,1,3,6H2,(H,18,19,20);2-3,9H,4-5H2,1H3,(H,17,18,19);2-4,9H,1,5H2,(H,17,18,19);1-3,10H,4H2,(H,12,13,14)/p-8
InChIKeyROQSTSQADJLHSD-UHFFFAOYSA-F
XLogP26.65
TPSA771.30 Ų
H-Bond Donors1
H-Bond Acceptors50
Rotatable Bonds46
Heavy Atoms209
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005180.71
LogP ≤ 526.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1050

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate?
The IUPAC name of 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate (CID 160685097) is 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate.
What is the SMILES notation for 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate?
The canonical SMILES for 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate is C=CCOc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.C=COc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.CC(C)(C)OC(=O)Oc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.COCOc1c(I)cc(OC(CS(=O)(=O)[O-])C(F)(F)F)cc1I.O=C(CS(=O)(=O)[O-])Oc1cccc(O)c1I.O=C(Oc1c(I)cc(I)cc1I)C1C2C=CC(CC2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)C1C2CCC(C2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.O=C(Oc1c(I)cc(I)cc1I)C1C2CCC(CC2)C1C(=O)OC(CS(=O)(=O)[O-])C(F)(F)F.
What is the InChIKey of 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate?
The InChIKey is ROQSTSQADJLHSD-UHFFFAOYSA-F. The full InChI is InChI=1S/C19H18F3I3O7S.C19H16F3I3O7S.C18H16F3I3O7S.C14H15F3I2O7S.C12H11F3I2O5S.C11H11F3I2O6S.C11H9F3I2O5S.C8H7IO6S/c2*20-19(21,22)13(7-33(28,29)30)31-17(26)14-8-1-3-9(4-2-8)15(14)18(27)32-16-11(24)5-10(23)6-12(16)25;19-18(20,21)12(6-32(27,28)29)30-16(25)13-7-1-2-8(3-7)14(13)17(26)31-15-10(23)4-9(22)5-11(15)24;1-13(2,3)26-12(20)25-11-8(18)4-7(5-9(11)19)24-10(14(15,16)17)6-27(21,22)23;1-2-3-21-11-8(16)4-7(5-9(11)17)22-10(12(13,14)15)6-23(18,19)20;1-20-5-21-10-7(15)2-6(3-8(10)16)22-9(11(12,13)14)4-23(17,18)19;1-2-20-10-7(15)3-6(4-8(10)16)21-9(11(12,13)14)5-22(17,18)19;9-8-5(10)2-1-3-6(8)15-7(11)4-16(12,13)14/h5-6,8-9,13-15H,1-4,7H2,(H,28,29,30);1,3,5-6,8-9,13-15H,2,4,7H2,(H,28,29,30);4-5,7-8,12-14H,1-3,6H2,(H,27,28,29);4-5,10H,6H2,1-3H3,(H,21,22,23);2,4-5,10H,1,3,6H2,(H,18,19,20);2-3,9H,4-5H2,1H3,(H,17,18,19);2-4,9H,1,5H2,(H,17,18,19);1-3,10H,4H2,(H,12,13,14)/p-8.
What are the key properties of 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate?
2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate has a molecular weight of 5180.71 g/mol, XLogP of 26.65, 46 rotatable bonds, 1 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-diiodo-4-(methoxymethoxy)phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-[3,5-diiodo-4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenoxy]-3,3,3-trifluoropropane-1-sulfonate;2-(3,5-diiodo-4-prop-2-enoxyphenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(4-ethenoxy-3,5-diiodophenoxy)-3,3,3-trifluoropropane-1-sulfonate;2-(3-hydroxy-2-iodophenoxy)-2-oxoethanesulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.1]heptane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]octane-2-carbonyl]oxypropane-1-sulfonate;3,3,3-trifluoro-2-[3-(2,4,6-triiodophenoxy)carbonylbicyclo[2.2.2]oct-5-ene-2-carbonyl]oxypropane-1-sulfonate is sourced from PubChem (CID 160685097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).