1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate

C84H45F6I28O49S9-9 — CID 157317891

About 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate

1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate (PubChem CID 157317891) has the molecular formula C84H45F6I28O49S9-9 and a molecular weight of 5794.14 g/mol. Its IUPAC name is 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate.

Molecular Properties

• Compound Name: 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate
• PubChem CID: 157317891
• Molecular Formula: C84H45F6I28O49S9-9
• Molecular Weight: 5794.14 g/mol
• Exact Mass: 5792.17
• IUPAC Name: 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate
• SMILES: O=C(CCC(=O)C(F)(F)S(=O)(=O)[O-])Oc1c(I)cc(I)cc1I.O=C(COC(=O)C(F)(F)S(=O)(=O)[O-])Oc1c(I)cc(I)cc1I.O=C(CS(=O)(=O)[O-])Oc1c(I)c(I)c(I)c(I)c1I.O=C(CS(=O)(=O)[O-])Oc1c(I)cc(I)cc1I.O=C(CS(=O)(=O)[O-])Oc1cc(I)c(I)c(I)c1I.O=C(CS(=O)(=O)[O-])Oc1cc(I)cc(I)c1.O=C(CS(=O)(=O)[O-])Oc1cc(I)cc(I)c1I.O=C(CS(=O)(=O)[O-])Oc1ccc(I)cc1I.O=C(Oc1c(I)cc(I)cc1I)C1CCC(C(=O)C(F)(F)S(=O)(=O)[O-])CC1
• InChI: InChI=1S/C15H13F2I3O6S.C11H7F2I3O6S.C10H5F2I3O7S.C8H3I5O5S.C8H4I4O5S.2C8H5I3O5S.2C8H6I2O5S/c16-15(17,27(23,24)25)13(21)7-1-3-8(4-2-7)14(22)26-12-10(19)5-9(18)6-11(12)20;12-11(13,23(19,20)21)8(17)1-2-9(18)22-10-6(15)3-5(14)4-7(10)16;11-10(12,23(18,19)20)9(17)21-3-7(16)22-8-5(14)1-4(13)2-6(8)15;9-3-4(10)6(12)8(7(13)5(3)11)18-2(14)1-19(15,16)17;9-3-1-4(7(11)8(12)6(3)10)17-5(13)2-18(14,15)16;9-4-1-5(10)8(11)6(2-4)16-7(12)3-17(13,14)15;9-4-1-5(10)8(6(11)2-4)16-7(12)3-17(13,14)15;9-5-1-6(10)3-7(2-5)15-8(11)4-16(12,13)14;9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14/h5-8H,1-4H2,(H,23,24,25);3-4H,1-2H2,(H,19,20,21);1-2H,3H2,(H,18,19,20);1H2,(H,15,16,17);1H,2H2,(H,14,15,16);2*1-2H,3H2,(H,13,14,15);2*1-3H,4H2,(H,12,13,14)/p-9
• InChIKey: BDUZRVDLUZYFPT-UHFFFAOYSA-E
• XLogP: 21.21
• TPSA: 811.94 Ų
• H-Bond Acceptors: 49
• Rotatable Bonds: 34
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5794.14
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate?

The IUPAC name of 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate (CID 157317891) is 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate.

What is the SMILES notation for 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate?

The canonical SMILES for 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate is O=C(CCC(=O)C(F)(F)S(=O)(=O)[O-])Oc1c(I)cc(I)cc1I.O=C(COC(=O)C(F)(F)S(=O)(=O)[O-])Oc1c(I)cc(I)cc1I.O=C(CS(=O)(=O)[O-])Oc1c(I)c(I)c(I)c(I)c1I.O=C(CS(=O)(=O)[O-])Oc1c(I)cc(I)cc1I.O=C(CS(=O)(=O)[O-])Oc1cc(I)c(I)c(I)c1I.O=C(CS(=O)(=O)[O-])Oc1cc(I)cc(I)c1.O=C(CS(=O)(=O)[O-])Oc1cc(I)cc(I)c1I.O=C(CS(=O)(=O)[O-])Oc1ccc(I)cc1I.O=C(Oc1c(I)cc(I)cc1I)C1CCC(C(=O)C(F)(F)S(=O)(=O)[O-])CC1.

What is the InChIKey of 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate?

The InChIKey is BDUZRVDLUZYFPT-UHFFFAOYSA-E. The full InChI is InChI=1S/C15H13F2I3O6S.C11H7F2I3O6S.C10H5F2I3O7S.C8H3I5O5S.C8H4I4O5S.2C8H5I3O5S.2C8H6I2O5S/c16-15(17,27(23,24)25)13(21)7-1-3-8(4-2-7)14(22)26-12-10(19)5-9(18)6-11(12)20;12-11(13,23(19,20)21)8(17)1-2-9(18)22-10-6(15)3-5(14)4-7(10)16;11-10(12,23(18,19)20)9(17)21-3-7(16)22-8-5(14)1-4(13)2-6(8)15;9-3-4(10)6(12)8(7(13)5(3)11)18-2(14)1-19(15,16)17;9-3-1-4(7(11)8(12)6(3)10)17-5(13)2-18(14,15)16;9-4-1-5(10)8(11)6(2-4)16-7(12)3-17(13,14)15;9-4-1-5(10)8(6(11)2-4)16-7(12)3-17(13,14)15;9-5-1-6(10)3-7(2-5)15-8(11)4-16(12,13)14;9-5-1-2-7(6(10)3-5)15-8(11)4-16(12,13)14/h5-8H,1-4H2,(H,23,24,25);3-4H,1-2H2,(H,19,20,21);1-2H,3H2,(H,18,19,20);1H2,(H,15,16,17);1H,2H2,(H,14,15,16);2*1-2H,3H2,(H,13,14,15);2*1-3H,4H2,(H,12,13,14)/p-9.

What are the key properties of 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate?

1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate has a molecular weight of 5794.14 g/mol, XLogP of 21.21, 34 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1-difluoro-2,5-dioxo-5-(2,4,6-triiodophenoxy)pentane-1-sulfonate;1,1-difluoro-2-oxo-2-[2-oxo-2-(2,4,6-triiodophenoxy)ethoxy]ethanesulfonate;1,1-difluoro-2-oxo-2-[4-(2,4,6-triiodophenoxy)carbonylcyclohexyl]ethanesulfonate;2-(2,4-diiodophenoxy)-2-oxoethanesulfonate;2-(3,5-diiodophenoxy)-2-oxoethanesulfonate;2-oxo-2-(2,3,4,5,6-pentaiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,4,5-tetraiodophenoxy)ethanesulfonate;2-oxo-2-(2,3,5-triiodophenoxy)ethanesulfonate;2-oxo-2-(2,4,6-triiodophenoxy)ethanesulfonate is sourced from PubChem (CID 157317891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).