[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium

C177H116F21O17S7+7 — CID 167532880

About [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium

[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium (PubChem CID 167532880) has the molecular formula C177H116F21O17S7+7 and a molecular weight of 3138.28 g/mol. Its IUPAC name is [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium.

Molecular Properties

• Compound Name: [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium
• PubChem CID: 167532880
• Molecular Formula: C177H116F21O17S7+7
• Molecular Weight: 3138.28 g/mol
• Exact Mass: 3135.59
• IUPAC Name: [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium
• SMILES: O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(O)c(F)c(F)c(F)c1F.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1c(F)c(F)c(F)c(F)c1F.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1c(O)c(F)c(F)c(F)c1F.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1cc(F)cc(F)c1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1F
• InChI: InChI=1S/C26H16F4O4S.C26H18F3O2S.C25H14F5O2S.C25H14F4O3S.2C25H17F2O2S.C25H18FO2S/c27-21-22(28)24(30)26(25(32)23(21)29)34-20(31)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-26(28,29)20-13-11-19(12-14-20)25(30)31-21-15-17-24(18-16-21)32(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-19(21(27)23(29)24(30)22(20)28)25(31)32-15-11-13-18(14-12-15)33(16-7-3-1-4-8-16)17-9-5-2-6-10-17;26-20-19(24(30)23(29)22(28)21(20)27)25(31)32-15-11-13-18(14-12-15)33(16-7-3-1-4-8-16)17-9-5-2-6-10-17;26-18-11-16-23(24(27)17-18)25(28)29-19-12-14-22(15-13-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-19-15-18(16-20(27)17-19)25(28)29-21-11-13-24(14-12-21)30(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-13-11-19(12-14-20)25(27)28-21-15-17-24(18-16-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15H2;1-18H;2*1-14H;2*1-17H;1-18H/q;2*+1;;3*+1/p+2
• InChIKey: AFBPWSCXAOCUHR-UHFFFAOYSA-P
• XLogP: 44.71
• TPSA: 233.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Rotatable Bonds: 37
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3138.28
LogP ≤ 5	44.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium?

The IUPAC name of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium (CID 167532880) is [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium.

What is the SMILES notation for [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium?

The canonical SMILES for [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium is O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(O)c(F)c(F)c(F)c1F.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1c(F)c(F)c(F)c(F)c1F.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1c(O)c(F)c(F)c(F)c1F.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1cc(F)cc(F)c1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1.O=C(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1F.

What is the InChIKey of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium?

The InChIKey is AFBPWSCXAOCUHR-UHFFFAOYSA-P. The full InChI is InChI=1S/C26H16F4O4S.C26H18F3O2S.C25H14F5O2S.C25H14F4O3S.2C25H17F2O2S.C25H18FO2S/c27-21-22(28)24(30)26(25(32)23(21)29)34-20(31)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;27-26(28,29)20-13-11-19(12-14-20)25(30)31-21-15-17-24(18-16-21)32(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-19(21(27)23(29)24(30)22(20)28)25(31)32-15-11-13-18(14-12-15)33(16-7-3-1-4-8-16)17-9-5-2-6-10-17;26-20-19(24(30)23(29)22(28)21(20)27)25(31)32-15-11-13-18(14-12-15)33(16-7-3-1-4-8-16)17-9-5-2-6-10-17;26-18-11-16-23(24(27)17-18)25(28)29-19-12-14-22(15-13-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-19-15-18(16-20(27)17-19)25(28)29-21-11-13-24(14-12-21)30(22-7-3-1-4-8-22)23-9-5-2-6-10-23;26-20-13-11-19(12-14-20)25(27)28-21-15-17-24(18-16-21)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-14H,15H2;1-18H;2*1-14H;2*1-17H;1-18H/q;2*+1;;3*+1/p+2.

What are the key properties of [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium?

[4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium has a molecular weight of 3138.28 g/mol, XLogP of 44.71, 37 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,4-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-(3,5-difluorobenzoyl)oxyphenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluoro-6-hydroxybenzoyl)oxyphenyl]sulfanium;diphenyl-[4-[4-(trifluoromethyl)benzoyl]oxyphenyl]sulfanium;[4-(4-fluorobenzoyl)oxyphenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,3,4,5-tetrafluoro-6-hydroxyphenoxy)ethoxy]phenyl]-diphenylsulfanium;[4-(2,3,4,5,6-pentafluorobenzoyl)oxyphenyl]-diphenylsulfanium is sourced from PubChem (CID 167532880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).