3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate

C138H109F27O34S16 — CID 157102637

IUPAC3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate
SMILESO=C(CC(=O)c1cccc([S+](c2ccccc2)c2ccccc2)c1)OCC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])C(F)(F)C(Oc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34F6O6S3.C23H18F2O6S2.2C21H14F6O6S3.C21H15F5O4S2.C19H14F2O6S3/c34-31(35,32(36,37)47(40,41)42)33(38,39)48(43,44)45-27-15-21-30(22-16-27)46(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;24-23(25,33(28,29)30)16-31-22(27)15-21(26)17-8-7-13-20(14-17)32(18-9-3-1-4-10-18)19-11-5-2-6-12-19;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-15-8-7-13-18(14-15)34(16-9-3-1-4-10-16)17-11-5-2-6-12-17;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-15-11-13-18(14-12-15)34(16-7-3-1-4-8-16)17-9-5-2-6-10-17;22-20(23,24)19(21(25,26)32(27,28)29)30-17-13-7-8-14-18(17)31(15-9-3-1-4-10-15)16-11-5-2-6-12-16;20-19(21,29(22,23)24)30(25,26)27-17-13-7-8-14-18(17)28(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h11-24H,1-10H2;1-14H,15-16H2;2*1-14H;1-14,19H;1-14H
InChIKeyAFYAMZGQSZQCJW-UHFFFAOYSA-N
MW3337.37 g/mol
LogP31.52
Rot. Bonds52

About 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate

3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate (PubChem CID 157102637) has the molecular formula C138H109F27O34S16 and a molecular weight of 3337.37 g/mol. Its IUPAC name is 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate.

Molecular Properties

Compound Name3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate
PubChem CID157102637
Molecular FormulaC138H109F27O34S16
Molecular Weight3337.37 g/mol
Exact Mass3334.19
IUPAC Name3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate
SMILESO=C(CC(=O)c1cccc([S+](c2ccccc2)c2ccccc2)c1)OCC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])C(F)(F)C(Oc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1ccccc1[S+](c1ccccc1)c1ccccc1
InChIInChI=1S/C33H34F6O6S3.C23H18F2O6S2.2C21H14F6O6S3.C21H15F5O4S2.C19H14F2O6S3/c34-31(35,32(36,37)47(40,41)42)33(38,39)48(43,44)45-27-15-21-30(22-16-27)46(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;24-23(25,33(28,29)30)16-31-22(27)15-21(26)17-8-7-13-20(14-17)32(18-9-3-1-4-10-18)19-11-5-2-6-12-19;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-15-8-7-13-18(14-15)34(16-9-3-1-4-10-16)17-11-5-2-6-12-17;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-15-11-13-18(14-12-15)34(16-7-3-1-4-8-16)17-9-5-2-6-10-17;22-20(23,24)19(21(25,26)32(27,28)29)30-17-13-7-8-14-18(17)31(15-9-3-1-4-10-15)16-11-5-2-6-12-16;20-19(21,29(22,23)24)30(25,26)27-17-13-7-8-14-18(17)28(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h11-24H,1-10H2;1-14H,15-16H2;2*1-14H;1-14,19H;1-14H
InChIKeyAFYAMZGQSZQCJW-UHFFFAOYSA-N
XLogP31.52
TPSA569.28 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds52
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003337.37
LogP ≤ 531.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate?
The IUPAC name of 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate (CID 157102637) is 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate.
What is the SMILES notation for 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate?
The canonical SMILES for 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate is O=C(CC(=O)c1cccc([S+](c2ccccc2)c2ccccc2)c1)OCC(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc([S+](c2ccc(C3CCCCC3)cc2)c2ccc(C3CCCCC3)cc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])C(F)(F)C(Oc1ccccc1[S+](c1ccccc1)c1ccccc1)C(F)(F)F.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1ccccc1[S+](c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate?
The InChIKey is AFYAMZGQSZQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F6O6S3.C23H18F2O6S2.2C21H14F6O6S3.C21H15F5O4S2.C19H14F2O6S3/c34-31(35,32(36,37)47(40,41)42)33(38,39)48(43,44)45-27-15-21-30(22-16-27)46(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;24-23(25,33(28,29)30)16-31-22(27)15-21(26)17-8-7-13-20(14-17)32(18-9-3-1-4-10-18)19-11-5-2-6-12-19;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-15-8-7-13-18(14-15)34(16-9-3-1-4-10-16)17-11-5-2-6-12-17;22-19(23,20(24,25)35(28,29)30)21(26,27)36(31,32)33-15-11-13-18(14-12-15)34(16-7-3-1-4-8-16)17-9-5-2-6-10-17;22-20(23,24)19(21(25,26)32(27,28)29)30-17-13-7-8-14-18(17)31(15-9-3-1-4-10-15)16-11-5-2-6-12-16;20-19(21,29(22,23)24)30(25,26)27-17-13-7-8-14-18(17)28(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h11-24H,1-10H2;1-14H,15-16H2;2*1-14H;1-14,19H;1-14H.
What are the key properties of 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate?
3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate has a molecular weight of 3337.37 g/mol, XLogP of 31.52, 52 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-bis(4-cyclohexylphenyl)sulfoniophenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-(2-diphenylsulfoniophenoxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;(2-diphenylsulfoniophenoxy)sulfonyl-difluoromethanesulfonate;3-(3-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;3-(4-diphenylsulfoniophenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;2-[3-(3-diphenylsulfoniophenyl)-3-oxopropanoyl]oxy-1,1-difluoroethanesulfonate is sourced from PubChem (CID 157102637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).