2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate

C146H148F12O30S12 — CID 161050719

About 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate

2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate (PubChem CID 161050719) has the molecular formula C146H148F12O30S12 and a molecular weight of 2995.54 g/mol. Its IUPAC name is 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate.

Molecular Properties

• Compound Name: 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate
• PubChem CID: 161050719
• Molecular Formula: C146H148F12O30S12
• Molecular Weight: 2995.54 g/mol
• Exact Mass: 2992.65
• IUPAC Name: 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate
• SMILES: CC(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)(C)C)cc2)cc1)C(F)(F)S(=O)(=O)[O-].Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OC(C)C(F)(F)S(=O)(=O)[O-])c(C)c2)c1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OC(C)C(F)(F)S(=O)(=O)[O-]
• InChI: InChI=1S/C29H34F2O6S2.C27H30F2O4S2.C25H26F2O5S2.C23H22F2O4S2.C21H18F2O6S2.C21H18F2O5S2/c1-20(29(30,31)39(32,33)34)35-21-8-14-24(15-9-21)38(25-16-10-22(11-17-25)36-27(2,3)4)26-18-12-23(13-19-26)37-28(5,6)7;1-16-8-17(2)11-23(10-16)34(24-12-18(3)9-19(4)13-24)25-14-20(5)26(21(6)15-25)33-22(7)27(28,29)35(30,31)32;1-18(25(26,27)34(28,29)30)31-19-10-14-22(15-11-19)33(21-8-6-5-7-9-21)23-16-12-20(13-17-23)32-24(2,3)4;1-16-14-21(15-17(2)22(16)29-18(3)23(24,25)31(26,27)28)30(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-14(21(22,23)31(26,27)28)29-17-6-12-20(13-7-17)30(18-8-2-15(24)3-9-18)19-10-4-16(25)5-11-19;1-15(21(22,23)30(25,26)27)28-17-9-13-20(14-10-17)29(18-5-3-2-4-6-18)19-11-7-16(24)8-12-19/h8-20H,1-7H3;8-15,22H,1-7H3;5-18H,1-4H3;4-15,18H,1-3H3;2-14H,1H3,(H2-,24,25,26,27,28);2-15H,1H3,(H-,24,25,26,27)
• InChIKey: UCCIWCGMONNEFG-UHFFFAOYSA-N
• XLogP: 33.24
• TPSA: 486.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 45
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2995.54
LogP ≤ 5	33.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate?

The IUPAC name of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate (CID 161050719) is 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate.

What is the SMILES notation for 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate?

The canonical SMILES for 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate is CC(Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(OC(C)(C)C)cc2)c2ccc(OC(C)(C)C)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccccc2)c2ccc(OC(C)(C)C)cc2)cc1)C(F)(F)S(=O)(=O)[O-].Cc1cc(C)cc([S+](c2cc(C)cc(C)c2)c2cc(C)c(OC(C)C(F)(F)S(=O)(=O)[O-])c(C)c2)c1.Cc1cc([S+](c2ccccc2)c2ccccc2)cc(C)c1OC(C)C(F)(F)S(=O)(=O)[O-].

What is the InChIKey of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate?

The InChIKey is UCCIWCGMONNEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2O6S2.C27H30F2O4S2.C25H26F2O5S2.C23H22F2O4S2.C21H18F2O6S2.C21H18F2O5S2/c1-20(29(30,31)39(32,33)34)35-21-8-14-24(15-9-21)38(25-16-10-22(11-17-25)36-27(2,3)4)26-18-12-23(13-19-26)37-28(5,6)7;1-16-8-17(2)11-23(10-16)34(24-12-18(3)9-19(4)13-24)25-14-20(5)26(21(6)15-25)33-22(7)27(28,29)35(30,31)32;1-18(25(26,27)34(28,29)30)31-19-10-14-22(15-11-19)33(21-8-6-5-7-9-21)23-16-12-20(13-17-23)32-24(2,3)4;1-16-14-21(15-17(2)22(16)29-18(3)23(24,25)31(26,27)28)30(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-14(21(22,23)31(26,27)28)29-17-6-12-20(13-7-17)30(18-8-2-15(24)3-9-18)19-10-4-16(25)5-11-19;1-15(21(22,23)30(25,26)27)28-17-9-13-20(14-10-17)29(18-5-3-2-4-6-18)19-11-7-16(24)8-12-19/h8-20H,1-7H3;8-15,22H,1-7H3;5-18H,1-4H3;4-15,18H,1-3H3;2-14H,1H3,(H2-,24,25,26,27,28);2-15H,1H3,(H-,24,25,26,27).

What are the key properties of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate?

2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate has a molecular weight of 2995.54 g/mol, XLogP of 33.24, 45 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis(4-hydroxyphenyl)sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-hydroxyphenyl)-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;2-(4-diphenylsulfonio-2,6-dimethylphenoxy)-1,1-difluoropropane-1-sulfonate is sourced from PubChem (CID 161050719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).