2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate

C143H168F33O55S12-11 — CID 157237875

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate (PubChem CID 157237875) has the molecular formula C143H168F33O55S12-11 and a molecular weight of 3778.60 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate.

Molecular Properties

• Compound Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate
• PubChem CID: 157237875
• Molecular Formula: C143H168F33O55S12-11
• Molecular Weight: 3778.60 g/mol
• Exact Mass: 3775.65
• IUPAC Name: 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate
• SMILES: O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C1C2CC3CC1CC(C(=O)OCC(F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=S(=O)(OCC(F)(F)S(=O)(=O)[O-])c1ccc2c(c1)oc1ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2
• InChI: InChI=1S/C15H21F3O5S.C14H17F5O5S.C14H17F3O6S.C14H10F2O7S2.C13H10F4O4S.2C13H17F3O5S.C13H18F2O5S.C12H18F2O3S.2C11H17F3O5S/c16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;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;15-10(14(16,17)24(20,21)22)6-23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;15-14(16,25(19,20)21)8-22-24(17,18)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9;14-12(15,13(16,17)22(18,19)20)21-8-9-5-6-10-3-1-2-4-11(10)7-9;2*14-10(13(15,16)22(18,19)20)21-11(17)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(15,21(17,18)19)7-20-11(16)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*12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8/h9-12H,1-8H2,(H,20,21,22);7-10H,1-6H2,(H,21,22,23);7-10H,1-6H2,(H,20,21,22);1-7H,8H2,(H,19,20,21);1-7H,8H2,(H,18,19,20);2*7-10H,1-6H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2,(H,15,16,17);2*8-9H,1-7H2,(H,16,17,18)/p-11
• InChIKey: AUVUEQFRXQJSJB-UHFFFAOYSA-C
• XLogP: 25.27
• TPSA: 922.41 Ų
• H-Bond Acceptors: 55
• Rotatable Bonds: 52
• Heavy Atoms: 243
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3778.60
LogP ≤ 5	25.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	55

Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?

The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate (CID 157237875) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate.

What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?

The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate is O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C1C2CC3CC1CC(C(=O)OCC(F)C(F)(F)S(=O)(=O)[O-])(C3)C2.O=S(=O)(OCC(F)(F)S(=O)(=O)[O-])c1ccc2c(c1)oc1ccccc12.O=S(=O)([O-])C(F)(F)C(F)(F)OCc1ccc2ccccc2c1.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.

What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?

The InChIKey is AUVUEQFRXQJSJB-UHFFFAOYSA-C. The full InChI is InChI=1S/C15H21F3O5S.C14H17F5O5S.C14H17F3O6S.C14H10F2O7S2.C13H10F4O4S.2C13H17F3O5S.C13H18F2O5S.C12H18F2O3S.2C11H17F3O5S/c16-12(15(17,18)24(20,21)22)1-2-23-13(19)14-6-9-3-10(7-14)5-11(4-9)8-14;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;15-10(14(16,17)24(20,21)22)6-23-12(19)13-3-7-1-8(4-13)11(18)9(2-7)5-13;15-14(16,25(19,20)21)8-22-24(17,18)9-5-6-11-10-3-1-2-4-12(10)23-13(11)7-9;14-12(15,13(16,17)22(18,19)20)21-8-9-5-6-10-3-1-2-4-11(10)7-9;2*14-10(13(15,16)22(18,19)20)21-11(17)12-4-7-1-8(5-12)3-9(2-7)6-12;14-13(15,21(17,18)19)7-20-11(16)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*12-9(11(13,14)20(16,17)18)6-7-19-10(15)8-4-2-1-3-5-8/h9-12H,1-8H2,(H,20,21,22);7-10H,1-6H2,(H,21,22,23);7-10H,1-6H2,(H,20,21,22);1-7H,8H2,(H,19,20,21);1-7H,8H2,(H,18,19,20);2*7-10H,1-6H2,(H,18,19,20);8-10H,1-7H2,(H,17,18,19);8-10H,1-7H2,(H,15,16,17);2*8-9H,1-7H2,(H,16,17,18)/p-11.

What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate?

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate has a molecular weight of 3778.60 g/mol, XLogP of 25.27, 52 rotatable bonds, 0 hydrogen bond donors, and 55 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;2-(adamantane-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;4-(adamantane-1-carbonyloxy)-1,1,2-trifluorobutane-1-sulfonate;bis(2-(adamantane-1-carbonyloxy)-1,1,2-trifluoroethanesulfonate);2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-(cyclohexanecarbonyloxy)-1,1,2-trifluorobutane-1-sulfonate);2-dibenzofuran-3-ylsulfonyloxy-1,1-difluoroethanesulfonate;1,1,2,2-tetrafluoro-2-(naphthalen-2-ylmethoxy)ethanesulfonate;1,1,2-trifluoro-3-(4-oxoadamantane-1-carbonyl)oxypropane-1-sulfonate is sourced from PubChem (CID 157237875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).