2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)

C252H236F18O48S18 — CID 158846450

About 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)

2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium) (PubChem CID 158846450) has the molecular formula C252H236F18O48S18 and a molecular weight of 4951.78 g/mol. Its IUPAC name is 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)
• PubChem CID: 158846450
• Molecular Formula: C252H236F18O48S18
• Molecular Weight: 4951.78 g/mol
• Exact Mass: 4947.07
• IUPAC Name: 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)
• SMILES: CC1(OC(=O)C(F)(F)S(=O)(=O)[O-])C2CC3CC(C2)CC1C3.CCCCC(CC)COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCC(O)C1)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)[O-].O=C(OCCc1cccc2ccccc12)C(F)(F)S(=O)(=O)[O-].O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C(Oc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C1C2CCC(C2)C1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/9C18H15S.C14H12F2O5S.C13H18F2O5S.C12H16F2O5S.C10H18F2O5S.C9H10F2O6S.C9H8F2O5S.C8H12F2O6S.C8H6F2O5S.C7H10F2O6S/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-14(16,22(18,19)20)13(17)21-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-12(20-11(16)13(14,15)21(17,18)19)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;1-3-5-6-8(4-2)7-17-9(13)10(11,12)18(14,15)16;10-9(11,18(14,15)16)8(13)17-7-5-2-1-4(3-5)6(7)12;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11;9-8(10,16(12,13)14)7(11)15-6-4-2-1-3-5-6;8-7(9,16(12,13)14)6(11)15-5-2-1-4(10)3-5/h9*1-15H;1-7H,8-9H2,(H,18,19,20);7-10H,2-6H2,1H3,(H,17,18,19);6-10H,1-5H2,(H,16,17,18);8H,3-7H2,1-2H3,(H,14,15,16);4-5,7H,1-3H2,(H,14,15,16);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15);1-5H,(H,12,13,14);4-5,10H,1-3H2,(H,12,13,14)/q9*+1;;;;;;;;;/p-9
• InChIKey: IYWXHZZLNFNXID-UHFFFAOYSA-E
• XLogP: 51.55
• TPSA: 809.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 48
• Rotatable Bonds: 62
• Heavy Atoms: 336
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4951.78
LogP ≤ 5	51.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)?

The IUPAC name of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium) (CID 158846450) is 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium).

What is the SMILES notation for 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)?

The canonical SMILES for 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium) is CC1(OC(=O)C(F)(F)S(=O)(=O)[O-])C2CC3CC(C2)CC1C3.CCCCC(CC)COC(=O)C(F)(F)S(=O)(=O)[O-].O=C(OC1C2CC3CC(C2)CC1C3)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCC(O)C1)C(F)(F)S(=O)(=O)[O-].O=C(OC1CCCCC1O)C(F)(F)S(=O)(=O)[O-].O=C(OCCc1cccc2ccccc12)C(F)(F)S(=O)(=O)[O-].O=C(OCc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C(Oc1ccccc1)C(F)(F)S(=O)(=O)[O-].O=C1C2CCC(C2)C1OC(=O)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)?

The InChIKey is IYWXHZZLNFNXID-UHFFFAOYSA-E. The full InChI is InChI=1S/9C18H15S.C14H12F2O5S.C13H18F2O5S.C12H16F2O5S.C10H18F2O5S.C9H10F2O6S.C9H8F2O5S.C8H12F2O6S.C8H6F2O5S.C7H10F2O6S/c9*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-14(16,22(18,19)20)13(17)21-9-8-11-6-3-5-10-4-1-2-7-12(10)11;1-12(20-11(16)13(14,15)21(17,18)19)9-3-7-2-8(5-9)6-10(12)4-7;13-12(14,20(16,17)18)11(15)19-10-8-2-6-1-7(4-8)5-9(10)3-6;1-3-5-6-8(4-2)7-17-9(13)10(11,12)18(14,15)16;10-9(11,18(14,15)16)8(13)17-7-5-2-1-4(3-5)6(7)12;10-9(11,17(13,14)15)8(12)16-6-7-4-2-1-3-5-7;9-8(10,17(13,14)15)7(12)16-6-4-2-1-3-5(6)11;9-8(10,16(12,13)14)7(11)15-6-4-2-1-3-5-6;8-7(9,16(12,13)14)6(11)15-5-2-1-4(10)3-5/h9*1-15H;1-7H,8-9H2,(H,18,19,20);7-10H,2-6H2,1H3,(H,17,18,19);6-10H,1-5H2,(H,16,17,18);8H,3-7H2,1-2H3,(H,14,15,16);4-5,7H,1-3H2,(H,14,15,16);1-5H,6H2,(H,13,14,15);5-6,11H,1-4H2,(H,13,14,15);1-5H,(H,12,13,14);4-5,10H,1-3H2,(H,12,13,14)/q9*+1;;;;;;;;;/p-9.

What are the key properties of 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium)?

2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium) has a molecular weight of 4951.78 g/mol, XLogP of 51.55, 62 rotatable bonds, 2 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-adamantyloxy)-1,1-difluoro-2-oxoethanesulfonate;1,1-difluoro-2-(2-hydroxycyclohexyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-(3-hydroxycyclopentyl)oxy-2-oxoethanesulfonate;1,1-difluoro-2-[(2-methyl-2-adamantyl)oxy]-2-oxoethanesulfonate;1,1-difluoro-2-(2-naphthalen-1-ylethoxy)-2-oxoethanesulfonate;1,1-difluoro-2-oxo-2-[(3-oxo-2-bicyclo[2.2.1]heptanyl)oxy]ethanesulfonate;1,1-difluoro-2-oxo-2-phenoxyethanesulfonate;1,1-difluoro-2-oxo-2-phenylmethoxyethanesulfonate;2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonate;nonakis(triphenylsulfanium) is sourced from PubChem (CID 158846450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).