2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate

C154H172F8O24S8 — CID 162060191

About 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate

2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate (PubChem CID 162060191) has the molecular formula C154H172F8O24S8 and a molecular weight of 2815.57 g/mol. Its IUPAC name is 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate.

Molecular Properties

• Compound Name: 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate
• PubChem CID: 162060191
• Molecular Formula: C154H172F8O24S8
• Molecular Weight: 2815.57 g/mol
• Exact Mass: 2812.99
• IUPAC Name: 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate
• SMILES: CC(Oc1ccc([S+](c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(-c3cccc4ccccc34)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(C3CCCCCCCCC3)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(C3CCCCCCCCCCC3)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-]
• InChI: InChI=1S/C40H52F2O6S2.2C38H36F2O6S2.C38H48F2O6S2/c1-30(40(41,42)50(43,44)45)48-34-20-26-37(27-21-34)49(36-24-18-33(19-25-36)39(4)29-46-38(2,3)28-47-39)35-22-16-32(17-23-35)31-14-12-10-8-6-5-7-9-11-13-15-31;1-26(38(39,40)48(41,42)43)46-30-16-22-33(23-17-30)47(32-20-14-29(15-21-32)37(4)25-44-36(2,3)24-45-37)31-18-12-28(13-19-31)35-11-7-9-27-8-5-6-10-34(27)35;1-26(38(39,40)48(41,42)43)46-32-15-21-35(22-16-32)47(34-19-13-31(14-20-34)37(4)25-44-36(2,3)24-45-37)33-17-11-28(12-18-33)30-10-9-27-7-5-6-8-29(27)23-30;1-28(38(39,40)48(41,42)43)46-32-18-24-35(25-19-32)47(34-22-16-31(17-23-34)37(4)27-44-36(2,3)26-45-37)33-20-14-30(15-21-33)29-12-10-8-6-5-7-9-11-13-29/h16-27,30-31H,5-15,28-29H2,1-4H3;2*5-23,26H,24-25H2,1-4H3;14-25,28-29H,5-13,26-27H2,1-4H3
• InChIKey: YZSOXXKMIUZWKN-UHFFFAOYSA-N
• XLogP: 36.55
• TPSA: 339.56 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 36
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2815.57
LogP ≤ 5	36.55
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': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate?

The IUPAC name of 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate (CID 162060191) is 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate.

What is the SMILES notation for 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate?

The canonical SMILES for 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate is CC(Oc1ccc([S+](c2ccc(-c3ccc4ccccc4c3)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(-c3cccc4ccccc34)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(C3CCCCCCCCC3)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].CC(Oc1ccc([S+](c2ccc(C3CCCCCCCCCCC3)cc2)c2ccc(C3(C)COC(C)(C)CO3)cc2)cc1)C(F)(F)S(=O)(=O)[O-].

What is the InChIKey of 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate?

The InChIKey is YZSOXXKMIUZWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H52F2O6S2.2C38H36F2O6S2.C38H48F2O6S2/c1-30(40(41,42)50(43,44)45)48-34-20-26-37(27-21-34)49(36-24-18-33(19-25-36)39(4)29-46-38(2,3)28-47-39)35-22-16-32(17-23-35)31-14-12-10-8-6-5-7-9-11-13-15-31;1-26(38(39,40)48(41,42)43)46-30-16-22-33(23-17-30)47(32-20-14-29(15-21-32)37(4)25-44-36(2,3)24-45-37)31-18-12-28(13-19-31)35-11-7-9-27-8-5-6-10-34(27)35;1-26(38(39,40)48(41,42)43)46-32-15-21-35(22-16-32)47(34-19-13-31(14-20-34)37(4)25-44-36(2,3)24-45-37)33-17-11-28(12-18-33)30-10-9-27-7-5-6-8-29(27)23-30;1-28(38(39,40)48(41,42)43)46-32-18-24-35(25-19-32)47(34-22-16-31(17-23-34)37(4)27-44-36(2,3)26-45-37)33-20-14-30(15-21-33)29-12-10-8-6-5-7-9-11-13-29/h16-27,30-31H,5-15,28-29H2,1-4H3;2*5-23,26H,24-25H2,1-4H3;14-25,28-29H,5-13,26-27H2,1-4H3.

What are the key properties of 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate?

2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate has a molecular weight of 2815.57 g/mol, XLogP of 36.55, 36 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(4-cyclodecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-[(4-cyclododecylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-1-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[(4-naphthalen-2-ylphenyl)-[4-(2,5,5-trimethyl-1,4-dioxan-2-yl)phenyl]sulfonio]phenoxy]propane-1-sulfonate is sourced from PubChem (CID 162060191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).