2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)

C140H118F24O12S6+2 — CID 160969406

About 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)

2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium) (PubChem CID 160969406) has the molecular formula C140H118F24O12S6+2 and a molecular weight of 2640.83 g/mol. Its IUPAC name is 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)
• PubChem CID: 160969406
• Molecular Formula: C140H118F24O12S6+2
• Molecular Weight: 2640.83 g/mol
• Exact Mass: 2638.66
• IUPAC Name: 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)
• SMILES: CCC(C)c1c(F)c(F)c(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(F)c1F.CCC(C)c1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(C)c(F)c2F)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C22H20F10O2.C19H17S.C18H13S.2C18H15S.C17H16F4O.C16H10F8O4S.C12H14F2O5S/c1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-9(2)11-5-7-12(8-6-11)22-17-15(20)13(18)10(3)14(19)16(17)21;1-3-4(2)5-6(17)8(19)14(9(20)7(5)18)28-15-10(21)12(23)16(29(25,26)27)13(24)11(15)22;1-3-8(2)9-4-6-10(7-5-9)19-11(15)12(13,14)20(16,17)18/h5-8,11H,4,9-10H2,1-3H3;2-15H,1H3;1-13H;2*1-15H;5-9H,4H2,1-3H3;4H,3H2,1-2H3,(H,25,26,27);4-8H,3H2,1-2H3,(H,16,17,18)/q;4*+1;;;/p-2
• InChIKey: SYBFABNOSPRYGA-UHFFFAOYSA-L
• XLogP: 40.92
• TPSA: 177.62 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 34
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2640.83
LogP ≤ 5	40.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)?

The IUPAC name of 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium) (CID 160969406) is 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium).

What is the SMILES notation for 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)?

The canonical SMILES for 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium) is CCC(C)c1c(F)c(F)c(Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(F)c1F.CCC(C)c1ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2c(F)c(F)c(C)c(F)c2F)cc1.CCC(C)c1ccc(Oc2c(F)c(F)c(C)c(F)c2F)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)?

The InChIKey is SYBFABNOSPRYGA-UHFFFAOYSA-L. The full InChI is InChI=1S/C22H20F10O2.C19H17S.C18H13S.2C18H15S.C17H16F4O.C16H10F8O4S.C12H14F2O5S/c1-4-11(2)13-5-7-14(8-6-13)33-9-20(27,28)22(31,32)21(29,30)10-34-19-17(25)15(23)12(3)16(24)18(19)26;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-2-8-14(9-3-1)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4-9(2)11-5-7-12(8-6-11)22-17-15(20)13(18)10(3)14(19)16(17)21;1-3-4(2)5-6(17)8(19)14(9(20)7(5)18)28-15-10(21)12(23)16(29(25,26)27)13(24)11(15)22;1-3-8(2)9-4-6-10(7-5-9)19-11(15)12(13,14)20(16,17)18/h5-8,11H,4,9-10H2,1-3H3;2-15H,1H3;1-13H;2*1-15H;5-9H,4H2,1-3H3;4H,3H2,1-2H3,(H,25,26,27);4-8H,3H2,1-2H3,(H,16,17,18)/q;4*+1;;;/p-2.

What are the key properties of 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium)?

2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium) has a molecular weight of 2640.83 g/mol, XLogP of 40.92, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butan-2-ylphenoxy)-1,1-difluoro-2-oxoethanesulfonate;1-[5-(4-butan-2-ylphenoxy)-2,2,3,3,4,4-hexafluoropentoxy]-2,3,5,6-tetrafluoro-4-methylbenzene;1-(4-butan-2-ylphenoxy)-2,3,5,6-tetrafluoro-4-methylbenzene;4-(4-butan-2-yl-2,3,5,6-tetrafluorophenoxy)-2,3,5,6-tetrafluorobenzenesulfonate;(4-methylphenyl)-diphenylsulfanium;5-phenyldibenzothiophen-5-ium;bis(triphenylsulfanium) is sourced from PubChem (CID 160969406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).