[1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

C97H125F14N2O22S9+ — CID 159571221

About [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane

[1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (PubChem CID 159571221) has the molecular formula C97H125F14N2O22S9+ and a molecular weight of 2225.63 g/mol. Its IUPAC name is [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

Molecular Properties

• Compound Name: [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
• PubChem CID: 159571221
• Molecular Formula: C97H125F14N2O22S9+
• Molecular Weight: 2225.63 g/mol
• Exact Mass: 2223.60
• IUPAC Name: [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane
• SMILES: C=CC(C)(C)OC(=O)C(C1CCCCC1)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CC(F)(F)C(=O)N1CCCCC1.CCCC(C(=O)OC(C)(C)C)[S+](c1ccccc1)c1ccccc1.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccccc1.Cc1ccc([S+](c2ccc(C)cc2C)C(C(=O)OC(C)(C)C(C)C)C(C)C)c(C)c1
• InChI: InChI=1S/C27H35O4S.C27H39O2S.C21H27O2S.C10H8F6NO7S3.C8H13F2NO.C4H3F6O6S3/c1-6-27(2,3)31-26(28)25(20-10-8-7-9-11-20)32(23-16-12-21(29-4)13-17-23)24-18-14-22(30-5)15-19-24;1-17(2)25(26(28)29-27(9,10)18(3)4)30(23-13-11-19(5)15-21(23)7)24-14-12-20(6)16-22(24)8;1-5-12-19(20(22)23-21(2,3)4)24(17-13-8-6-9-14-17)18-15-10-7-11-16-18;1-25(18,19)17-26(20,21)9(13,14)8(11,12)10(15,16)27(22,23)24-7-5-3-2-4-6-7;1-8(9,10)7(12)11-5-3-2-4-6-11;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h6,12-20,25H,1,7-11H2,2-5H3;11-18,25H,1-10H3;6-11,13-16,19H,5,12H2,1-4H3;2-6H,1H3;2-6H2,1H3;1H3/q3*+1;-1;;-1
• InChIKey: MHVPLRLPHIIONQ-UHFFFAOYSA-N
• XLogP: 22.27
• TPSA: 345.84 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 34
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2225.63
LogP ≤ 5	22.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?

The IUPAC name of [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane (CID 159571221) is [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane.

What is the SMILES notation for [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?

The canonical SMILES for [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is C=CC(C)(C)OC(=O)C(C1CCCCC1)[S+](c1ccc(OC)cc1)c1ccc(OC)cc1.CC(F)(F)C(=O)N1CCCCC1.CCCC(C(=O)OC(C)(C)C)[S+](c1ccccc1)c1ccccc1.CS(=O)(=O)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccccc1.Cc1ccc([S+](c2ccc(C)cc2C)C(C(=O)OC(C)(C)C(C)C)C(C)C)c(C)c1.

What is the InChIKey of [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?

The InChIKey is MHVPLRLPHIIONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35O4S.C27H39O2S.C21H27O2S.C10H8F6NO7S3.C8H13F2NO.C4H3F6O6S3/c1-6-27(2,3)31-26(28)25(20-10-8-7-9-11-20)32(23-16-12-21(29-4)13-17-23)24-18-14-22(30-5)15-19-24;1-17(2)25(26(28)29-27(9,10)18(3)4)30(23-13-11-19(5)15-21(23)7)24-14-12-20(6)16-22(24)8;1-5-12-19(20(22)23-21(2,3)4)24(17-13-8-6-9-14-17)18-15-10-7-11-16-18;1-25(18,19)17-26(20,21)9(13,14)8(11,12)10(15,16)27(22,23)24-7-5-3-2-4-6-7;1-8(9,10)7(12)11-5-3-2-4-6-11;1-17(11,12)2(18(13,14)3(5,6)7)19(15,16)4(8,9)10/h6,12-20,25H,1,7-11H2,2-5H3;11-18,25H,1-10H3;6-11,13-16,19H,5,12H2,1-4H3;2-6H,1H3;2-6H2,1H3;1H3/q3*+1;-1;;-1.

What are the key properties of [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane?

[1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane has a molecular weight of 2225.63 g/mol, XLogP of 22.27, 34 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for [1-cyclohexyl-2-(2-methylbut-3-en-2-yloxy)-2-oxoethyl]-bis(4-methoxyphenyl)sulfanium;2,2-difluoro-1-piperidin-1-ylpropan-1-one;[1-(2,3-dimethylbutan-2-yloxy)-3-methyl-1-oxobutan-2-yl]-bis(2,4-dimethylphenyl)sulfanium;(1,1,2,2,3,3-hexafluoro-3-phenoxysulfonylpropyl)sulfonyl-methylsulfonylazanide;[1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-diphenylsulfanium;trifluoro-[methylsulfonyl(trifluoromethylsulfonyl)methyl]sulfonylmethane is sourced from PubChem (CID 159571221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).