2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate

C130H145F11O24S8 — CID 157476745

About 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate

2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate (PubChem CID 157476745) has the molecular formula C130H145F11O24S8 and a molecular weight of 2557.08 g/mol. Its IUPAC name is 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate.

Molecular Properties

• Compound Name: 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate
• PubChem CID: 157476745
• Molecular Formula: C130H145F11O24S8
• Molecular Weight: 2557.08 g/mol
• Exact Mass: 2554.77
• IUPAC Name: 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate
• SMILES: CC(C)(C)c1ccc([S+](c2ccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)cc1.CC1(C)COC(C)(c2ccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)cc2)OC1.Cc1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3(C)OCC(C)(C)CO3)cc2)cc(C)c1OC(=O)COCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/C37H44F2O8S2.C33H36F2O5S2.C31H34F2O7S2.C29H31F5O4S2/c1-25-19-32(20-26(2)34(25)47-33(40)21-44-24-37(38,39)49(41,42)43)48(30-15-11-28(12-16-30)27-9-7-6-8-10-27)31-17-13-29(14-18-31)36(5)45-22-35(3,4)23-46-36;34-33(35,42(37,38)39)23-40-32(36)28-15-21-31(22-16-28)41(29-17-11-26(12-18-29)24-7-3-1-4-8-24)30-19-13-27(14-20-30)25-9-5-2-6-10-25;1-28(2,3)21-7-13-24(14-8-21)41(25-15-9-22(10-16-25)30(6)38-19-29(4,5)20-39-30)26-17-11-23(12-18-26)40-27(34)31(32,33)42(35,36)37;1-26(2,3)19-7-13-22(14-8-19)39(23-15-9-20(10-16-23)27(4,5)6)24-17-11-21(12-18-24)38-25(28(30,31)32)29(33,34)40(35,36)37/h11-20,27H,6-10,21-24H2,1-5H3;11-22,24-25H,1-10,23H2;7-18H,19-20H2,1-6H3;7-18,25H,1-6H3
• InChIKey: BVRIOLUPYBDYGY-UHFFFAOYSA-N
• XLogP: 30.12
• TPSA: 363.08 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 34
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2557.08
LogP ≤ 5	30.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', '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-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate?

The IUPAC name of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate (CID 157476745) is 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate.

What is the SMILES notation for 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate?

The canonical SMILES for 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate is CC(C)(C)c1ccc([S+](c2ccc(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])cc2)c2ccc(C(C)(C)C)cc2)cc1.CC1(C)COC(C)(c2ccc([S+](c3ccc(OC(=O)C(F)(F)S(=O)(=O)[O-])cc3)c3ccc(C(C)(C)C)cc3)cc2)OC1.Cc1cc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3(C)OCC(C)(C)CO3)cc2)cc(C)c1OC(=O)COCC(F)(F)S(=O)(=O)[O-].O=C(OCC(F)(F)S(=O)(=O)[O-])c1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate?

The InChIKey is BVRIOLUPYBDYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44F2O8S2.C33H36F2O5S2.C31H34F2O7S2.C29H31F5O4S2/c1-25-19-32(20-26(2)34(25)47-33(40)21-44-24-37(38,39)49(41,42)43)48(30-15-11-28(12-16-30)27-9-7-6-8-10-27)31-17-13-29(14-18-31)36(5)45-22-35(3,4)23-46-36;34-33(35,42(37,38)39)23-40-32(36)28-15-21-31(22-16-28)41(29-17-11-26(12-18-29)24-7-3-1-4-8-24)30-19-13-27(14-20-30)25-9-5-2-6-10-25;1-28(2,3)21-7-13-24(14-8-21)41(25-15-9-22(10-16-25)30(6)38-19-29(4,5)20-39-30)26-17-11-23(12-18-26)40-27(34)31(32,33)42(35,36)37;1-26(2,3)19-7-13-22(14-8-19)39(23-15-9-20(10-16-23)27(4,5)6)24-17-11-21(12-18-24)38-25(28(30,31)32)29(33,34)40(35,36)37/h11-20,27H,6-10,21-24H2,1-5H3;11-22,24-25H,1-10,23H2;7-18H,19-20H2,1-6H3;7-18,25H,1-6H3.

What are the key properties of 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate?

2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate has a molecular weight of 2557.08 g/mol, XLogP of 30.12, 34 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-bis(4-tert-butylphenyl)sulfoniophenoxy]-1,1,3,3,3-pentafluoropropane-1-sulfonate;2-[4-bis(4-cyclohexylphenyl)sulfoniobenzoyl]oxy-1,1-difluoroethanesulfonate;2-[4-[(4-tert-butylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoro-2-oxoethanesulfonate;2-[2-[4-[(4-cyclohexylphenyl)-[4-(2,5,5-trimethyl-1,3-dioxan-2-yl)phenyl]sulfonio]-2,6-dimethylphenoxy]-2-oxoethoxy]-1,1-difluoroethanesulfonate is sourced from PubChem (CID 157476745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).