2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide

C114H63F28O10S11+7 — CID 167657241

About 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide

2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide (PubChem CID 167657241) has the molecular formula C114H63F28O10S11+7 and a molecular weight of 2477.43 g/mol. Its IUPAC name is 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide.

Molecular Properties

• Compound Name: 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide
• PubChem CID: 167657241
• Molecular Formula: C114H63F28O10S11+7
• Molecular Weight: 2477.43 g/mol
• Exact Mass: 2475.09
• IUPAC Name: 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide
• SMILES: Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1(=O)c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21
• InChI: InChI=1S/C26H19F2O3S.C18H10F3O2S2.C18H10F3OS2.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;19-11-1-5-14(6-2-11)24-15-9-12(20)3-7-17(15)25(22,23)18-8-4-13(21)10-16(18)24;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)24(22)16-8-4-13(21)10-18(16)23;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-17H,18H2;1-10H;1-10H;1-6H;1-6H;1-6H;1-6H/q7*+1
• InChIKey: RKWSUWJTKLUBBA-UHFFFAOYSA-N
• XLogP: 32.86
• TPSA: 147.18 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2477.43
LogP ≤ 5	32.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

The IUPAC name of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide (CID 167657241) is 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide.

What is the SMILES notation for 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

The canonical SMILES for 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide is Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2C(F)(F)F.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=S1(=O)c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1(=O)c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.O=S1c2cc(F)ccc2[S+](C(F)(F)F)c2ccc(F)cc21.O=S1c2ccc(F)cc2[S+](c2ccc(F)cc2)c2cc(F)ccc21.

What is the InChIKey of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

The InChIKey is RKWSUWJTKLUBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2O3S.C18H10F3O2S2.C18H10F3OS2.C13H6F5O2S2.C13H6F5OS2.C13H6F5OS.C13H6F5S/c27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;19-11-1-5-14(6-2-11)24-15-9-12(20)3-7-17(15)25(22,23)18-8-4-13(21)10-16(18)24;19-11-1-5-14(6-2-11)23-17-9-12(20)3-7-15(17)24(22)16-8-4-13(21)10-18(16)23;14-7-1-3-9-11(5-7)22(19,20)12-6-8(15)2-4-10(12)21(9)13(16,17)18;14-7-1-3-9-11(5-7)21(19)12-6-8(15)2-4-10(12)20(9)13(16,17)18;14-7-1-3-11-9(5-7)19-10-6-8(15)2-4-12(10)20(11)13(16,17)18;14-7-1-3-11-9(5-7)10-6-8(15)2-4-12(10)19(11)13(16,17)18/h1-17H,18H2;1-10H;1-10H;1-6H;1-6H;1-6H;1-6H/q7*+1.

What are the key properties of 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide?

2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide has a molecular weight of 2477.43 g/mol, XLogP of 32.86, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5,5-dioxide;2,8-difluoro-10-(4-fluorophenyl)thianthren-10-ium 5-oxide;[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-(trifluoromethyl)dibenzothiophen-5-ium;3,7-difluoro-10-(trifluoromethyl)phenoxathiin-10-ium;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-(trifluoromethyl)thianthren-10-ium 5-oxide is sourced from PubChem (CID 167657241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).