diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

C169H126F30O17S8+8 — CID 164997823

IUPACdiphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(C(F)(F)F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17F6O3S.C22H15F6O2S.C22H18F3O3S.C22H18F3O2S.C21H16F3O3S.C21H16F3O2S.C20H14F3O2S.C18H12F3S/c24-22(25,26)21(23(27,28)29)32-20(30)15-31-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18;23-21(24,25)20(22(26,27)28)30-19(29)15-11-13-18(14-12-15)31(16-7-3-1-4-8-16)17-9-5-2-6-10-17;23-22(24,25)16-28-21(26)15-27-17-11-13-20(14-12-17)29(18-7-3-1-4-8-18)19-9-5-2-6-10-19;23-22(24,25)15-16-27-21(26)17-11-13-20(14-12-17)28(18-7-3-1-4-8-18)19-9-5-2-6-10-19;22-21(23,24)27-20(25)15-26-16-11-13-19(14-12-16)28(17-7-3-1-4-8-17)18-9-5-2-6-10-18;22-21(23,24)15-26-20(25)16-11-13-19(14-12-16)27(17-7-3-1-4-8-17)18-9-5-2-6-10-18;21-20(22,23)25-19(24)15-11-13-18(14-12-15)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-14,21H,15H2;1-14,20H;1-14H,15-16H2;1-14H,15-16H2;1-14H,15H2;1-14H,15H2;1-14H;1-12H/q8*+1
InChIKeyHUMMCHORLAEGDU-UHFFFAOYSA-N
MW3255.33 g/mol
LogP45.17
Rot. Bonds43

About diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium

diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (PubChem CID 164997823) has the molecular formula C169H126F30O17S8+8 and a molecular weight of 3255.33 g/mol. Its IUPAC name is diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Namediphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
PubChem CID164997823
Molecular FormulaC169H126F30O17S8+8
Molecular Weight3255.33 g/mol
Exact Mass3252.62
IUPAC Namediphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(C(F)(F)F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H17F6O3S.C22H15F6O2S.C22H18F3O3S.C22H18F3O2S.C21H16F3O3S.C21H16F3O2S.C20H14F3O2S.C18H12F3S/c24-22(25,26)21(23(27,28)29)32-20(30)15-31-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18;23-21(24,25)20(22(26,27)28)30-19(29)15-11-13-18(14-12-15)31(16-7-3-1-4-8-16)17-9-5-2-6-10-17;23-22(24,25)16-28-21(26)15-27-17-11-13-20(14-12-17)29(18-7-3-1-4-8-18)19-9-5-2-6-10-19;23-22(24,25)15-16-27-21(26)17-11-13-20(14-12-17)28(18-7-3-1-4-8-18)19-9-5-2-6-10-19;22-21(23,24)27-20(25)15-26-16-11-13-19(14-12-16)28(17-7-3-1-4-8-17)18-9-5-2-6-10-18;22-21(23,24)15-26-20(25)16-11-13-19(14-12-16)27(17-7-3-1-4-8-17)18-9-5-2-6-10-18;21-20(22,23)25-19(24)15-11-13-18(14-12-15)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-14,21H,15H2;1-14,20H;1-14H,15-16H2;1-14H,15-16H2;1-14H,15H2;1-14H,15H2;1-14H;1-12H/q8*+1
InChIKeyHUMMCHORLAEGDU-UHFFFAOYSA-N
XLogP45.17
TPSA211.79 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds43
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003255.33
LogP ≤ 545.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The IUPAC name of diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium (CID 164997823) is diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The canonical SMILES for diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(C(F)(F)F)C(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OC(F)(F)F.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)OCC(F)(F)F.O=C(OC(C(F)(F)F)C(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=C(OCCC(F)(F)F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
The InChIKey is HUMMCHORLAEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6O3S.C22H15F6O2S.C22H18F3O3S.C22H18F3O2S.C21H16F3O3S.C21H16F3O2S.C20H14F3O2S.C18H12F3S/c24-22(25,26)21(23(27,28)29)32-20(30)15-31-16-11-13-19(14-12-16)33(17-7-3-1-4-8-17)18-9-5-2-6-10-18;23-21(24,25)20(22(26,27)28)30-19(29)15-11-13-18(14-12-15)31(16-7-3-1-4-8-16)17-9-5-2-6-10-17;23-22(24,25)16-28-21(26)15-27-17-11-13-20(14-12-17)29(18-7-3-1-4-8-18)19-9-5-2-6-10-19;23-22(24,25)15-16-27-21(26)17-11-13-20(14-12-17)28(18-7-3-1-4-8-18)19-9-5-2-6-10-19;22-21(23,24)27-20(25)15-26-16-11-13-19(14-12-16)28(17-7-3-1-4-8-17)18-9-5-2-6-10-18;22-21(23,24)15-26-20(25)16-11-13-19(14-12-16)27(17-7-3-1-4-8-17)18-9-5-2-6-10-18;21-20(22,23)25-19(24)15-11-13-18(14-12-15)26(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-14,21H,15H2;1-14,20H;1-14H,15-16H2;1-14H,15-16H2;1-14H,15H2;1-14H,15H2;1-14H;1-12H/q8*+1.
What are the key properties of diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium?
diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium has a molecular weight of 3255.33 g/mol, XLogP of 45.17, 43 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[4-(2,2,2-trifluoroethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(trifluoromethoxycarbonyl)phenyl]sulfanium;diphenyl-[4-(3,3,3-trifluoropropoxycarbonyl)phenyl]sulfanium;[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxycarbonyl)phenyl]-diphenylsulfanium;[4-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]-diphenylsulfanium;[4-[2-oxo-2-(trifluoromethoxy)ethoxy]phenyl]-diphenylsulfanium;tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 164997823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).