[2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)

C109H123F17N2O19S7 — CID 160669904

IUPAC[2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)
SMILESCCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)c1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(C(C)(OCC(C)O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H20O2.2C18H15S.C16H23F3O2.C15H17F5NO6S2.C14H13F9NO7S3.C10H20O2/c1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-11(2)13-6-8-14(9-7-13)15(4,16(17,18)19)21-10-12(3)20;1-4-9(2)11-5-7-12(8-6-11)13(22)27-10(3)14(16,17)28(23,24)21-29(25,26)15(18,19)20;1-3-8(2)9-4-6-10(7-5-9)31-34(29,30)13(19,20)11(15,16)12(17,18)32(25,26)24-33(27,28)14(21,22)23;1-7-10(5,6)8(11)12-9(2,3)4/h5-13H,4H2,1-3H3;2*1-15H;6-9,11-12,20H,5,10H2,1-4H3;5-10H,4H2,1-3H3;4-8H,3H2,1-2H3;7H2,1-6H3/q;2*+1;;2*-1;
InChIKeyRMUFHIJFQZLXHX-UHFFFAOYSA-N
MW2312.61 g/mol
LogP29.57
Rot. Bonds36

About [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)

[2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium) (PubChem CID 160669904) has the molecular formula C109H123F17N2O19S7 and a molecular weight of 2312.61 g/mol. Its IUPAC name is [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium).

Molecular Properties

Compound Name[2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)
PubChem CID160669904
Molecular FormulaC109H123F17N2O19S7
Molecular Weight2312.61 g/mol
Exact Mass2310.65
IUPAC Name[2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)
SMILESCCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)c1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(C(C)(OCC(C)O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H20O2.2C18H15S.C16H23F3O2.C15H17F5NO6S2.C14H13F9NO7S3.C10H20O2/c1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-11(2)13-6-8-14(9-7-13)15(4,16(17,18)19)21-10-12(3)20;1-4-9(2)11-5-7-12(8-6-11)13(22)27-10(3)14(16,17)28(23,24)21-29(25,26)15(18,19)20;1-3-8(2)9-4-6-10(7-5-9)31-34(29,30)13(19,20)11(15,16)12(17,18)32(25,26)24-33(27,28)14(21,22)23;1-7-10(5,6)8(11)12-9(2,3)4/h5-13H,4H2,1-3H3;2*1-15H;6-9,11-12,20H,5,10H2,1-4H3;5-10H,4H2,1-3H3;4-8H,3H2,1-2H3;7H2,1-6H3/q;2*+1;;2*-1;
InChIKeyRMUFHIJFQZLXHX-UHFFFAOYSA-N
XLogP29.57
TPSA316.49 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002312.61
LogP ≤ 529.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)?
The IUPAC name of [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium) (CID 160669904) is [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium).
What is the SMILES notation for [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)?
The canonical SMILES for [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium) is CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)Oc1ccc(-c2ccccc2)cc1.CCC(C)c1ccc(C(=O)OC(C)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.CCC(C)c1ccc(C(C)(OCC(C)O)C(F)(F)F)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)?
The InChIKey is RMUFHIJFQZLXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.2C18H15S.C16H23F3O2.C15H17F5NO6S2.C14H13F9NO7S3.C10H20O2/c1-4-18(2,3)17(19)20-16-12-10-15(11-13-16)14-8-6-5-7-9-14;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-5-11(2)13-6-8-14(9-7-13)15(4,16(17,18)19)21-10-12(3)20;1-4-9(2)11-5-7-12(8-6-11)13(22)27-10(3)14(16,17)28(23,24)21-29(25,26)15(18,19)20;1-3-8(2)9-4-6-10(7-5-9)31-34(29,30)13(19,20)11(15,16)12(17,18)32(25,26)24-33(27,28)14(21,22)23;1-7-10(5,6)8(11)12-9(2,3)4/h5-13H,4H2,1-3H3;2*1-15H;6-9,11-12,20H,5,10H2,1-4H3;5-10H,4H2,1-3H3;4-8H,3H2,1-2H3;7H2,1-6H3/q;2*+1;;2*-1;.
What are the key properties of [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium)?
[2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium) has a molecular weight of 2312.61 g/mol, XLogP of 29.57, 36 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-butan-2-ylbenzoyl)oxy-1,1-difluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-[2-(4-butan-2-ylphenyl)-1,1,1-trifluoropropan-2-yl]oxypropan-2-ol;tert-butyl 2,2-dimethylbutanoate;(4-phenylphenyl) 2,2-dimethylbutanoate;bis(triphenylsulfanium) is sourced from PubChem (CID 160669904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).