bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate

C134H91F24IO19S5 — CID 165000934

About bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate

bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate (PubChem CID 165000934) has the molecular formula C134H91F24IO19S5 and a molecular weight of 2748.37 g/mol. Its IUPAC name is bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate.

Molecular Properties

• Compound Name: bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate
• PubChem CID: 165000934
• Molecular Formula: C134H91F24IO19S5
• Molecular Weight: 2748.37 g/mol
• Exact Mass: 2746.34
• IUPAC Name: bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate
• SMILES: CC(=O)[O-].CC(C)(O)C(=O)[O-].CC(C)(O)C(=O)[O-].Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1.Fc1cc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(F)c(F)c1F.Fc1ccc([S+](c2ccccc2)c2ccc(F)c(F)c2)cc1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(O)c1c([O-])c(F)c(F)c(F)c1F.O=C([O-])c1cc(F)ccc1I.Oc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(F)c1F
• InChI: InChI=1S/C26H16F5O3S.C24H15F4OS.C24H16F2O2S.2C18H11F4S.C7H2F4O3.C7H4FIO2.2C4H8O3.C2H4O2/c27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;25-20-15-21(23(27)24(28)22(20)26)29-16-11-13-19(14-12-16)30(17-7-3-1-4-8-17)18-9-5-2-6-10-18;25-23-21(27)15-16-22(24(23)26)28-17-11-13-20(14-12-17)29(18-7-3-1-4-8-18)19-9-5-2-6-10-19;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18;19-15-8-6-13(10-17(15)21)23(12-4-2-1-3-5-12)14-7-9-16(20)18(22)11-14;8-2-1(7(13)14)6(12)5(11)4(10)3(2)9;8-4-1-2-6(9)5(3-4)7(10)11;2*1-4(2,7)3(5)6;1-2(3)4/h1-14H,15H2;1-15H;1-16H;2*1-11H;12H,(H,13,14);1-3H,(H,10,11);2*7H,1-2H3,(H,5,6);1H3,(H,3,4)/q2*+1;;2*+1;;;;;/p-4
• InChIKey: FJRJZBJTDCXBDL-UHFFFAOYSA-J
• XLogP: 28.41
• TPSA: 335.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 27
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2748.37
LogP ≤ 5	28.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	18

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate?

The IUPAC name of bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate (CID 165000934) is bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate.

What is the SMILES notation for bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate?

The canonical SMILES for bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate is CC(=O)[O-].CC(C)(O)C(=O)[O-].CC(C)(O)C(=O)[O-].Fc1cc(F)cc([S+](c2ccccc2)c2cc(F)cc(F)c2)c1.Fc1cc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(F)c(F)c1F.Fc1ccc([S+](c2ccccc2)c2ccc(F)c(F)c2)cc1F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1c(F)c(F)c(F)c(F)c1F.O=C(O)c1c([O-])c(F)c(F)c(F)c1F.O=C([O-])c1cc(F)ccc1I.Oc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c(F)c1F.

What is the InChIKey of bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate?

The InChIKey is FJRJZBJTDCXBDL-UHFFFAOYSA-J. The full InChI is InChI=1S/C26H16F5O3S.C24H15F4OS.C24H16F2O2S.2C18H11F4S.C7H2F4O3.C7H4FIO2.2C4H8O3.C2H4O2/c27-21-22(28)24(30)26(25(31)23(21)29)34-20(32)15-33-16-11-13-19(14-12-16)35(17-7-3-1-4-8-17)18-9-5-2-6-10-18;25-20-15-21(23(27)24(28)22(20)26)29-16-11-13-19(14-12-16)30(17-7-3-1-4-8-17)18-9-5-2-6-10-18;25-23-21(27)15-16-22(24(23)26)28-17-11-13-20(14-12-17)29(18-7-3-1-4-8-18)19-9-5-2-6-10-19;19-12-6-13(20)9-17(8-12)23(16-4-2-1-3-5-16)18-10-14(21)7-15(22)11-18;19-15-8-6-13(10-17(15)21)23(12-4-2-1-3-5-12)14-7-9-16(20)18(22)11-14;8-2-1(7(13)14)6(12)5(11)4(10)3(2)9;8-4-1-2-6(9)5(3-4)7(10)11;2*1-4(2,7)3(5)6;1-2(3)4/h1-14H,15H2;1-15H;1-16H;2*1-11H;12H,(H,13,14);1-3H,(H,10,11);2*7H,1-2H3,(H,5,6);1H3,(H,3,4)/q2*+1;;2*+1;;;;;/p-4.

What are the key properties of bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate?

bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate has a molecular weight of 2748.37 g/mol, XLogP of 28.41, 27 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3,4-difluorophenyl)-phenylsulfanium;bis(3,5-difluorophenyl)-phenylsulfanium;2-carboxy-3,4,5,6-tetrafluorophenolate;[4-(2,3-difluoro-4-hydroxyphenoxy)phenyl]-diphenylsulfanium;diphenyl-[4-(2,3,4,5-tetrafluorophenoxy)phenyl]sulfanium;5-fluoro-2-iodobenzoate;bis(2-hydroxy-2-methylpropanoate);[4-[2-oxo-2-(2,3,4,5,6-pentafluorophenoxy)ethoxy]phenyl]-diphenylsulfanium;acetate is sourced from PubChem (CID 165000934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).