3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate

C148H136F22O33S12 — CID 158735871

About 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate

3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate (PubChem CID 158735871) has the molecular formula C148H136F22O33S12 and a molecular weight of 3245.44 g/mol. Its IUPAC name is 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate.

Molecular Properties

• Compound Name: 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate
• PubChem CID: 158735871
• Molecular Formula: C148H136F22O33S12
• Molecular Weight: 3245.44 g/mol
• Exact Mass: 3242.53
• IUPAC Name: 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccc(OCC(F)(C(F)(F)F)S(=O)(=O)[O-])cc2)c2ccc(OC(C)(C)C)cc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccc(OCC(F)(C(F)(F)F)S(=O)(=O)[O-])cc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(F)(C(F)(F)F)S(=O)(=O)[O-].O=C(CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-]
• InChI: InChI=1S/C29H32F4O6S2.C25H24F4O5S2.C25H23F3O6S2.C23H18F4O6S2.C23H20F4O4S2.C23H19F3O6S2/c1-26(2,3)38-21-9-15-24(16-10-21)40(25-17-11-22(12-18-25)39-27(4,5)6)23-13-7-20(8-14-23)37-19-28(30,29(31,32)33)41(34,35)36;1-23(2,3)34-19-11-15-22(16-12-19)35(20-7-5-4-6-8-20)21-13-9-18(10-14-21)33-17-24(26,25(27,28)29)36(30,31)32;26-24(27)25(28,36(30,31)32)18-34-23(29)12-7-17-33-19-13-15-22(16-14-19)35(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22(23(25,26)27,35(29,30)31)16-33-21(28)15-32-17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-16-13-20(32(18-9-5-3-6-10-18)19-11-7-4-8-12-19)14-17(2)21(16)31-15-22(24,23(25,26)27)33(28,29)30;24-22(25)23(26,34(28,29)30)16-32-21(27)15-31-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h7-18H,19H2,1-6H3;4-16H,17H2,1-3H3;1-6,8-11,13-16,24H,7,12,17-18H2;1-14H,15-16H2;3-14H,15H2,1-2H3;1-14,22H,15-16H2
• InChIKey: ILRAYFIXWAMSQG-UHFFFAOYSA-N
• XLogP: 32.57
• TPSA: 505.17 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 55
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3245.44
LogP ≤ 5	32.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate?

The IUPAC name of 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate (CID 158735871) is 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate.

What is the SMILES notation for 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate?

The canonical SMILES for 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate is CC(C)(C)Oc1ccc([S+](c2ccc(OCC(F)(C(F)(F)F)S(=O)(=O)[O-])cc2)c2ccc(OC(C)(C)C)cc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccc(OCC(F)(C(F)(F)F)S(=O)(=O)[O-])cc2)cc1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OCC(F)(C(F)(F)F)S(=O)(=O)[O-].O=C(CCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)(F)F)S(=O)(=O)[O-].O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(C(F)F)S(=O)(=O)[O-].

What is the InChIKey of 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate?

The InChIKey is ILRAYFIXWAMSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F4O6S2.C25H24F4O5S2.C25H23F3O6S2.C23H18F4O6S2.C23H20F4O4S2.C23H19F3O6S2/c1-26(2,3)38-21-9-15-24(16-10-21)40(25-17-11-22(12-18-25)39-27(4,5)6)23-13-7-20(8-14-23)37-19-28(30,29(31,32)33)41(34,35)36;1-23(2,3)34-19-11-15-22(16-12-19)35(20-7-5-4-6-8-20)21-13-9-18(10-14-21)33-17-24(26,25(27,28)29)36(30,31)32;26-24(27)25(28,36(30,31)32)18-34-23(29)12-7-17-33-19-13-15-22(16-14-19)35(20-8-3-1-4-9-20)21-10-5-2-6-11-21;24-22(23(25,26)27,35(29,30)31)16-33-21(28)15-32-17-11-13-20(14-12-17)34(18-7-3-1-4-8-18)19-9-5-2-6-10-19;1-16-13-20(32(18-9-5-3-6-10-18)19-11-7-4-8-12-19)14-17(2)21(16)31-15-22(24,23(25,26)27)33(28,29)30;24-22(25)23(26,34(28,29)30)16-32-21(27)15-31-17-11-13-20(14-12-17)33(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h7-18H,19H2,1-6H3;4-16H,17H2,1-3H3;1-6,8-11,13-16,24H,7,12,17-18H2;1-14H,15-16H2;3-14H,15H2,1-2H3;1-14,22H,15-16H2.

What are the key properties of 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate?

3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate has a molecular weight of 3245.44 g/mol, XLogP of 32.57, 55 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1,1,2-tetrafluoropropane-2-sulfonate;3-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,1,2-tetrafluoropropane-2-sulfonate;3-[2-(4-diphenylsulfoniophenoxy)acetyl]oxy-1,1,2-trifluoropropane-2-sulfonate;3-[4-(4-diphenylsulfoniophenoxy)butanoyloxy]-1,1,2-trifluoropropane-2-sulfonate;1,1,1,2-tetrafluoro-3-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-2-sulfonate is sourced from PubChem (CID 158735871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).