2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)

C167H216F12I4O33S8Si — CID 157112535

About 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)

2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate) (PubChem CID 157112535) has the molecular formula C167H216F12I4O33S8Si and a molecular weight of 3771.75 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate).

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)
• PubChem CID: 157112535
• Molecular Formula: C167H216F12I4O33S8Si
• Molecular Weight: 3771.75 g/mol
• Exact Mass: 3768.87
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)
• SMILES: CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.CCC(C)(C)Oc1ccc([I+]c2ccc(OC(C)(C)CC)cc2)cc1.CCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCC)cc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC(F)([SiH3])S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1
• InChI: InChI=1S/C28H42IO2.C22H30IO2.C22H25S.C20H26I.C18H22I.C14H17F5O5S.C13H21FO5SSi.C12H18F2O3S.2C9H10F2O8S2/c1-3-5-7-9-11-13-23-30-27-19-15-25(16-20-27)29-26-17-21-28(22-18-26)31-24-14-12-10-8-6-4-2;1-7-21(3,4)24-19-13-9-17(10-14-19)23-18-11-15-20(16-12-18)25-22(5,6)8-2;1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(21,20(16,17)18)7-19-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;2*10-9(11,21(15,16)17)8(12)18-6-3-1-4-5(2-3)20(13,14)19-7(4)6/h15-22H,3-14,23-24H2,1-2H3;9-16H,7-8H2,1-6H3;1-10,17-19H,11-16H2;7-14H,1-6H3;5-14H,1-4H3;7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,21H3,(H,16,17,18);8-10H,1-7H2,(H,15,16,17);2*3-7H,1-2H2,(H,15,16,17)/q5*+1;;;;;/p-5
• InChIKey: AHAFNXSSLXTZGZ-UHFFFAOYSA-I
• XLogP: 22.58
• TPSA: 514.86 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 52
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3771.75
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate) (CID 157112535) is 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate).

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate) is CC(C)(C)c1ccc([I+]c2ccc(C(C)(C)C)cc2)cc1.CC(C)c1ccc([I+]c2ccc(C(C)C)cc2)cc1.CCC(C)(C)Oc1ccc([I+]c2ccc(OC(C)(C)CC)cc2)cc1.CCCCCCCCOc1ccc([I+]c2ccc(OCCCCCCCC)cc2)cc1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3C1OS(=O)(=O)C3C2)C(F)(F)S(=O)(=O)[O-].O=C(OCC(F)([SiH3])S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)C23CC4CC(CC(C4)C2)C3)cc1.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)?

The InChIKey is AHAFNXSSLXTZGZ-UHFFFAOYSA-I. The full InChI is InChI=1S/C28H42IO2.C22H30IO2.C22H25S.C20H26I.C18H22I.C14H17F5O5S.C13H21FO5SSi.C12H18F2O3S.2C9H10F2O8S2/c1-3-5-7-9-11-13-23-30-27-19-15-25(16-20-27)29-26-17-21-28(22-18-26)31-24-14-12-10-8-6-4-2;1-7-21(3,4)24-19-13-9-17(10-14-19)23-18-11-15-20(16-12-18)25-22(5,6)8-2;1-3-7-20(8-4-1)23(21-9-5-2-6-10-21)22-14-17-11-18(15-22)13-19(12-17)16-22;1-19(2,3)15-7-11-17(12-8-15)21-18-13-9-16(10-14-18)20(4,5)6;1-13(2)15-5-9-17(10-6-15)19-18-11-7-16(8-12-18)14(3)4;15-13(16,17)10(14(18,19)25(21,22)23)24-11(20)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(21,20(16,17)18)7-19-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;2*10-9(11,21(15,16)17)8(12)18-6-3-1-4-5(2-3)20(13,14)19-7(4)6/h15-22H,3-14,23-24H2,1-2H3;9-16H,7-8H2,1-6H3;1-10,17-19H,11-16H2;7-14H,1-6H3;5-14H,1-4H3;7-10H,1-6H2,(H,21,22,23);8-10H,1-7H2,21H3,(H,16,17,18);8-10H,1-7H2,(H,15,16,17);2*3-7H,1-2H2,(H,15,16,17)/q5*+1;;;;;/p-5.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate)?

2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate) has a molecular weight of 3771.75 g/mol, XLogP of 22.58, 52 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1-fluoro-1-silylethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-(1-adamantyl)-1,1-difluoroethanesulfonate;1-adamantyl(diphenyl)sulfanium;bis(4-tert-butylphenyl)iodanium;bis[4-(2-methylbutan-2-yloxy)phenyl]iodanium;bis(4-octoxyphenyl)iodanium;bis(4-propan-2-ylphenyl)iodanium;bis(2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1-difluoro-2-oxoethanesulfonate) is sourced from PubChem (CID 157112535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).