2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium

C141H209F11O30S2 — CID 157362282

About 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium

2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 157362282) has the molecular formula C141H209F11O30S2 and a molecular weight of 2657.30 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 157362282
• Molecular Formula: C141H209F11O30S2
• Molecular Weight: 2657.30 g/mol
• Exact Mass: 2655.41
• IUPAC Name: 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: CCC(C)(C)C(=O)OC(C)(C)c1ccccc1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)(C)C(=O)OC1CCCC1=O.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC1(OC(=O)C(C)(C)CC)CCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C18H25F9O4.C18H15S.C16H22O6.2C15H24O3.C15H22O2.C13H24O2.C12H22O2.C11H18O3.C8H14F2O5S/c1-5-13(2,3)12(28)31-11-7-9(14(4,29)16(19,20)21)6-10(8-11)15(30,17(22,23)24)18(25,26)27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;2*1-3-10(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)9-15;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-11(2,3)10(13)14-9-7-5-6-8(9)12;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14/h9-11,29-30H,5-8H2,1-4H3;1-15H;8-10,12-13H,4-7H2,1-3H3;2*10-12,17H,3-9H2,1-2H3;7-11H,6H2,1-5H3;5-10H2,1-4H3;5-9H2,1-4H3;9H,4-7H2,1-3H3;4-5H2,1-3H3,(H,12,13,14)/q;+1;;;;;;;;/p-1
• InChIKey: BITVVIASRVXLGY-UHFFFAOYSA-M
• XLogP: 30.56
• TPSA: 444.49 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 38
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2657.30
LogP ≤ 5	30.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium (CID 157362282) is 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium is CCC(C)(C)C(=O)OC(C)(C)c1ccccc1.CCC(C)(C)C(=O)OC1(C)CCCC1.CCC(C)(C)C(=O)OC1CC(C(C)(O)C(F)(F)F)CC(C(O)(C(F)(F)F)C(F)(F)F)C1.CCC(C)(C)C(=O)OC1CCCC1=O.CCC(C)(C)C(=O)OCC(=O)OC1C2CC3C(=O)OC1C3C2.CCC(C)(C)C(=O)OCC(F)(F)S(=O)(=O)[O-].CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC(C)C(=O)OC12CC3CC(CC(O)(C3)C1)C2.CCC1(OC(=O)C(C)(C)CC)CCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is BITVVIASRVXLGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H25F9O4.C18H15S.C16H22O6.2C15H24O3.C15H22O2.C13H24O2.C12H22O2.C11H18O3.C8H14F2O5S/c1-5-13(2,3)12(28)31-11-7-9(14(4,29)16(19,20)21)6-10(8-11)15(30,17(22,23)24)18(25,26)27;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-16(2,3)15(19)20-7-11(17)21-12-8-5-9-10(6-8)14(18)22-13(9)12;2*1-3-10(2)13(16)18-15-7-11-4-12(8-15)6-14(17,5-11)9-15;1-6-14(2,3)13(16)17-15(4,5)12-10-8-7-9-11-12;1-5-12(3,4)11(14)15-13(6-2)9-7-8-10-13;1-5-11(2,3)10(13)14-12(4)8-6-7-9-12;1-4-11(2,3)10(13)14-9-7-5-6-8(9)12;1-4-7(2,3)6(11)15-5-8(9,10)16(12,13)14/h9-11,29-30H,5-8H2,1-4H3;1-15H;8-10,12-13H,4-7H2,1-3H3;2*10-12,17H,3-9H2,1-2H3;7-11H,6H2,1-5H3;5-10H2,1-4H3;5-9H2,1-4H3;9H,4-7H2,1-3H3;4-5H2,1-3H3,(H,12,13,14)/q;+1;;;;;;;;/p-1.

What are the key properties of 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium?

2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2657.30 g/mol, XLogP of 30.56, 38 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-dimethylbutanoyloxy)-1,1-difluoroethanesulfonate;(1-ethylcyclopentyl) 2,2-dimethylbutanoate;[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate;bis((3-hydroxy-1-adamantyl) 2-methylbutanoate);(1-methylcyclopentyl) 2,2-dimethylbutanoate;(2-oxocyclopentyl) 2,2-dimethylbutanoate;[2-oxo-2-[(5-oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl] 2,2-dimethylbutanoate;2-phenylpropan-2-yl 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 157362282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).