2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate

C135H150F10O35S10 — CID 159409087

IUPAC2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate
SMILESCOCCOCCOc1ccc([S+](c2ccc(OCCOCCOC)cc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOCCOc1ccc([S+](c2ccccc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOc1ccc([S+](c2ccc(OCCOC)cc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.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
InChIInChI=1S/C31H38F2O10S2.C27H30F2O8S2.C27H30F2O4S2.C26H28F2O7S2.C24H24F2O6S2/c1-24(31(32,33)45(34,35)36)43-27-8-14-30(15-9-27)44(28-10-4-25(5-11-28)41-22-20-39-18-16-37-2)29-12-6-26(7-13-29)42-23-21-40-19-17-38-3;1-20(27(28,29)39(30,31)32)37-23-8-14-26(15-9-23)38(24-10-4-21(5-11-24)35-18-16-33-2)25-12-6-22(7-13-25)36-19-17-34-3;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;1-20(26(27,28)37(29,30)31)35-22-10-14-25(15-11-22)36(23-6-4-3-5-7-23)24-12-8-21(9-13-24)34-19-18-33-17-16-32-2;1-18(24(25,26)34(27,28)29)32-20-10-14-23(15-11-20)33(21-6-4-3-5-7-21)22-12-8-19(9-13-22)31-17-16-30-2/h4-15,24H,16-23H2,1-3H3;4-15,20H,16-19H2,1-3H3;8-15,22H,1-7H3;3-15,20H,16-19H2,1-2H3;3-15,18H,16-17H2,1-2H3
InChIKeyLOIODMPHMSMGGI-UHFFFAOYSA-N
MW2843.30 g/mol
LogP25.49
Rot. Bonds68

About 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate

2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate (PubChem CID 159409087) has the molecular formula C135H150F10O35S10 and a molecular weight of 2843.30 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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate.

Molecular Properties

Compound Name2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate
PubChem CID159409087
Molecular FormulaC135H150F10O35S10
Molecular Weight2843.30 g/mol
Exact Mass2840.70
IUPAC Name2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate
SMILESCOCCOCCOc1ccc([S+](c2ccc(OCCOCCOC)cc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOCCOc1ccc([S+](c2ccccc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOc1ccc([S+](c2ccc(OCCOC)cc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.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
InChIInChI=1S/C31H38F2O10S2.C27H30F2O8S2.C27H30F2O4S2.C26H28F2O7S2.C24H24F2O6S2/c1-24(31(32,33)45(34,35)36)43-27-8-14-30(15-9-27)44(28-10-4-25(5-11-28)41-22-20-39-18-16-37-2)29-12-6-26(7-13-29)42-23-21-40-19-17-38-3;1-20(27(28,29)39(30,31)32)37-23-8-14-26(15-9-23)38(24-10-4-21(5-11-24)35-18-16-33-2)25-12-6-22(7-13-25)36-19-17-34-3;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;1-20(26(27,28)37(29,30)31)35-22-10-14-25(15-11-22)36(23-6-4-3-5-7-23)24-12-8-21(9-13-24)34-19-18-33-17-16-32-2;1-18(24(25,26)34(27,28)29)32-20-10-14-23(15-11-20)33(21-6-4-3-5-7-21)22-12-8-19(9-13-22)31-17-16-30-2/h4-15,24H,16-23H2,1-3H3;4-15,20H,16-19H2,1-3H3;8-15,22H,1-7H3;3-15,20H,16-19H2,1-2H3;3-15,18H,16-17H2,1-2H3
InChIKeyLOIODMPHMSMGGI-UHFFFAOYSA-N
XLogP25.49
TPSA470.60 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds68
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002843.30
LogP ≤ 525.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate with MolForge

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Related Compounds

[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863624
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(trifluoromethanesulfonate)
CID 21863642
[4-[4-Bis(4-tert-butylphenyl)sulfoniophenoxy]phenyl]-bis(4-tert-butylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21863671
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964680
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964743
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21964928
[4-[4-[4-[4-Bis(2,4,6-trimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4,6-trimethylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21964932
[4-[4-[4-[4-Bis(4-methylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate)
CID 21965037
[4-[4-[4-[4-Bis(2,4-dimethylphenyl)sulfoniophenoxy]phenyl]iodoniophenoxy]phenyl]-bis(2,4-dimethylphenyl)sulfanium;tris(trifluoromethanesulfonate)
CID 21965085
Diphenyl-(9-sulfanylidenexanthen-2-yl)sulfanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 23054266
Diphenyl-(9-sulfanylidenexanthen-2-yl)sulfanium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate
CID 23054285
(4-Methoxy-3,5-dimethylphenyl)-diphenylsulfanium;4-(trifluoromethyl)benzenesulfonate
CID 23133023

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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate (CID 159409087) is 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate is COCCOCCOc1ccc([S+](c2ccc(OCCOCCOC)cc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOCCOc1ccc([S+](c2ccccc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOc1ccc([S+](c2ccc(OCCOC)cc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.COCCOc1ccc([S+](c2ccccc2)c2ccc(OC(C)C(F)(F)S(=O)(=O)[O-])cc2)cc1.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.
What is the InChIKey of 2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate?
The InChIKey is LOIODMPHMSMGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F2O10S2.C27H30F2O8S2.C27H30F2O4S2.C26H28F2O7S2.C24H24F2O6S2/c1-24(31(32,33)45(34,35)36)43-27-8-14-30(15-9-27)44(28-10-4-25(5-11-28)41-22-20-39-18-16-37-2)29-12-6-26(7-13-29)42-23-21-40-19-17-38-3;1-20(27(28,29)39(30,31)32)37-23-8-14-26(15-9-23)38(24-10-4-21(5-11-24)35-18-16-33-2)25-12-6-22(7-13-25)36-19-17-34-3;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;1-20(26(27,28)37(29,30)31)35-22-10-14-25(15-11-22)36(23-6-4-3-5-7-23)24-12-8-21(9-13-24)34-19-18-33-17-16-32-2;1-18(24(25,26)34(27,28)29)32-20-10-14-23(15-11-20)33(21-6-4-3-5-7-21)22-12-8-19(9-13-22)31-17-16-30-2/h4-15,24H,16-23H2,1-3H3;4-15,20H,16-19H2,1-3H3;8-15,22H,1-7H3;3-15,20H,16-19H2,1-2H3;3-15,18H,16-17H2,1-2H3.
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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate?
2-[4-bis(3,5-dimethylphenyl)sulfonio-2,6-dimethylphenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate has a molecular weight of 2843.30 g/mol, XLogP of 25.49, 68 rotatable bonds, 0 hydrogen bond donors, and 35 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-[2-(2-methoxyethoxy)ethoxy]phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;2-[4-bis[4-(2-methoxyethoxy)phenyl]sulfoniophenoxy]-1,1-difluoropropane-1-sulfonate;1,1-difluoro-2-[4-[[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate;1,1-difluoro-2-[4-[[4-(2-methoxyethoxy)phenyl]-phenylsulfonio]phenoxy]propane-1-sulfonate is sourced from PubChem (CID 159409087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).