adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate

C84H104F20NO45S9-7 — CID 163718188

About adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate

adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate (PubChem CID 163718188) has the molecular formula C84H104F20NO45S9-7 and a molecular weight of 2516.28 g/mol. Its IUPAC name is adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate.

Molecular Properties

• Compound Name: adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate
• PubChem CID: 163718188
• Molecular Formula: C84H104F20NO45S9-7
• Molecular Weight: 2516.28 g/mol
• Exact Mass: 2514.31
• IUPAC Name: adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate
• SMILES: O=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])OC12CC3CC(CC(O)(C3)C1)C2.O=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])OC1C2CCC(C2)C1OC(=O)C1CCCCC1.O=C(CS(=O)(=O)[O-])OC1C2CC3C1OS(=O)(=O)C3C2.O=C(OC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1OC2C3CC(CC13)C2C(=O)OCC(F)(F)C(F)(F)S(=O)(=O)[O-].O=C1OCCCCC1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)CC(F)(F)S(=O)(=O)N1CCCCC1
• InChI: InChI=1S/C19H26F4O7S.C15H20F4O6S.C12H12F4O7S.C12H16F2O5S.C9H12F2O7S.C9H12O8S2.C8H13F4NO5S2/c20-18(21,19(22,23)31(26,27)28)9-8-14(24)29-15-12-6-7-13(10-12)16(15)30-17(25)11-4-2-1-3-5-11;16-14(17,15(18,19)26(22,23)24)2-1-11(20)25-13-6-9-3-10(7-13)5-12(21,4-9)8-13;13-11(14,12(15,16)24(19,20)21)3-22-10(18)7-4-1-5-6(2-4)9(17)23-8(5)7;13-12(14,20(16,17)18)19-10(15)11-4-7-1-8(5-11)3-9(2-7)6-11;10-9(11,19(14,15)16)5-18-8(13)6-3-1-2-4-17-7(6)12;10-7(3-18(11,12)13)16-8-4-1-5-6(2-4)19(14,15)17-9(5)8;9-7(10,6-8(11,12)20(16,17)18)19(14,15)13-4-2-1-3-5-13/h11-13,15-16H,1-10H2,(H,26,27,28);9-10,21H,1-8H2,(H,22,23,24);4-8H,1-3H2,(H,19,20,21);7-9H,1-6H2,(H,16,17,18);6H,1-5H2,(H,14,15,16);4-6,8-9H,1-3H2,(H,11,12,13);1-6H2,(H,16,17,18)/p-7
• InChIKey: KPEPGQTUAHOEPO-UHFFFAOYSA-G
• XLogP: 7.40
• TPSA: 738.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2516.28
LogP ≤ 5	7.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate?

The IUPAC name of adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate (CID 163718188) is adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate.

What is the SMILES notation for adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate?

The canonical SMILES for adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate is O=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])OC12CC3CC(CC(O)(C3)C1)C2.O=C(CCC(F)(F)C(F)(F)S(=O)(=O)[O-])OC1C2CCC(C2)C1OC(=O)C1CCCCC1.O=C(CS(=O)(=O)[O-])OC1C2CC3C1OS(=O)(=O)C3C2.O=C(OC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C1OC2C3CC(CC13)C2C(=O)OCC(F)(F)C(F)(F)S(=O)(=O)[O-].O=C1OCCCCC1C(=O)OCC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)CC(F)(F)S(=O)(=O)N1CCCCC1.

What is the InChIKey of adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate?

The InChIKey is KPEPGQTUAHOEPO-UHFFFAOYSA-G. The full InChI is InChI=1S/C19H26F4O7S.C15H20F4O6S.C12H12F4O7S.C12H16F2O5S.C9H12F2O7S.C9H12O8S2.C8H13F4NO5S2/c20-18(21,19(22,23)31(26,27)28)9-8-14(24)29-15-12-6-7-13(10-12)16(15)30-17(25)11-4-2-1-3-5-11;16-14(17,15(18,19)26(22,23)24)2-1-11(20)25-13-6-9-3-10(7-13)5-12(21,4-9)8-13;13-11(14,12(15,16)24(19,20)21)3-22-10(18)7-4-1-5-6(2-4)9(17)23-8(5)7;13-12(14,20(16,17)18)19-10(15)11-4-7-1-8(5-11)3-9(2-7)6-11;10-9(11,19(14,15)16)5-18-8(13)6-3-1-2-4-17-7(6)12;10-7(3-18(11,12)13)16-8-4-1-5-6(2-4)19(14,15)17-9(5)8;9-7(10,6-8(11,12)20(16,17)18)19(14,15)13-4-2-1-3-5-13/h11-13,15-16H,1-10H2,(H,26,27,28);9-10,21H,1-8H2,(H,22,23,24);4-8H,1-3H2,(H,19,20,21);7-9H,1-6H2,(H,16,17,18);6H,1-5H2,(H,14,15,16);4-6,8-9H,1-3H2,(H,11,12,13);1-6H2,(H,16,17,18)/p-7.

What are the key properties of adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate?

adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate has a molecular weight of 2516.28 g/mol, XLogP of 7.40, 34 rotatable bonds, 1 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for adamantane-1-carbonyloxy(difluoro)methanesulfonate;5-[[3-(cyclohexanecarbonyloxy)-2-bicyclo[2.2.1]heptanyl]oxy]-1,1,2,2-tetrafluoro-5-oxopentane-1-sulfonate;1,1-difluoro-2-(2-oxooxepane-3-carbonyl)oxyethanesulfonate;2-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-2-oxoethanesulfonate;1,1,2,2-tetrafluoro-5-[(3-hydroxy-1-adamantyl)oxy]-5-oxopentane-1-sulfonate;1,1,2,2-tetrafluoro-3-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-2-carbonyl)oxypropane-1-sulfonate;1,1,3,3-tetrafluoro-3-piperidin-1-ylsulfonylpropane-1-sulfonate is sourced from PubChem (CID 163718188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).