1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)

C152H175F10N2O15S8+3 — CID 158241682

About 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)

1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium) (PubChem CID 158241682) has the molecular formula C152H175F10N2O15S8+3 and a molecular weight of 2716.59 g/mol. Its IUPAC name is 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)
• PubChem CID: 158241682
• Molecular Formula: C152H175F10N2O15S8+3
• Molecular Weight: 2716.59 g/mol
• Exact Mass: 2714.06
• IUPAC Name: 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)
• SMILES: CC(C)(C)Oc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)cc1.CC(F)(F)C(=O)OC1C2CC3CC(C2)CC1C3.CC(F)(F)CC(=O)OC12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H36O3S.2C19H17S.2C18H15S.C14H16F6O4S.C14H20F2O2.C13H18F2O2.C13H22N2O4S2/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2,3)23-9-5-7-10(8-6-9)24-25(21,22)14(19,20)13(17,18)12(4,15)16;1-13(15,16)8-12(17)18-14-5-9-2-10(6-14)4-11(3-9)7-14;1-13(14,15)12(16)17-11-9-3-7-2-8(5-9)6-10(11)4-7;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h16-20H,1-15H2,(H,25,26,27);2*2-15H,1H3;2*1-15H;5-8H,1-4H3;9-11H,2-8H2,1H3;7-11H,2-6H2,1H3;11-12H,1-10H2/q;4*+1;;;;/p-1
• InChIKey: GFPPPORTHMXMTL-UHFFFAOYSA-M
• XLogP: 39.55
• TPSA: 267.08 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 29
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2716.59
LogP ≤ 5	39.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)?

The IUPAC name of 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium) (CID 158241682) is 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium).

What is the SMILES notation for 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)?

The canonical SMILES for 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium) is CC(C)(C)Oc1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(C)(F)F)cc1.CC(F)(F)C(=O)OC1C2CC3CC(C2)CC1C3.CC(F)(F)CC(=O)OC12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.[N-]=[N+]=C(S(=O)(=O)C1CCCCC1)S(=O)(=O)C1CCCCC1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)?

The InChIKey is GFPPPORTHMXMTL-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H36O3S.2C19H17S.2C18H15S.C14H16F6O4S.C14H20F2O2.C13H18F2O2.C13H22N2O4S2/c25-28(26,27)24-22(19-12-6-2-7-13-19)16-21(18-10-4-1-5-11-18)17-23(24)20-14-8-3-9-15-20;2*1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11(2,3)23-9-5-7-10(8-6-9)24-25(21,22)14(19,20)13(17,18)12(4,15)16;1-13(15,16)8-12(17)18-14-5-9-2-10(6-14)4-11(3-9)7-14;1-13(14,15)12(16)17-11-9-3-7-2-8(5-9)6-10(11)4-7;14-15-13(20(16,17)11-7-3-1-4-8-11)21(18,19)12-9-5-2-6-10-12/h16-20H,1-15H2,(H,25,26,27);2*2-15H,1H3;2*1-15H;5-8H,1-4H3;9-11H,2-8H2,1H3;7-11H,2-6H2,1H3;11-12H,1-10H2/q;4*+1;;;;/p-1.

What are the key properties of 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium)?

1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium) has a molecular weight of 2716.59 g/mol, XLogP of 39.55, 29 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantyl 3,3-difluorobutanoate;2-adamantyl 2,2-difluoropropanoate;[cyclohexylsulfonyl(diazo)methyl]sulfonylcyclohexane;bis((4-methylphenyl)-diphenylsulfanium);[4-[(2-methylpropan-2-yl)oxy]phenyl] 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 158241682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).