2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)

C122H130F19NO6S5+4 — CID 159154188

About 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)

2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium) (PubChem CID 159154188) has the molecular formula C122H130F19NO6S5+4 and a molecular weight of 2227.68 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)
• PubChem CID: 159154188
• Molecular Formula: C122H130F19NO6S5+4
• Molecular Weight: 2227.68 g/mol
• Exact Mass: 2225.82
• IUPAC Name: 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)
• SMILES: CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C1CC2CCC1C2.CC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/4C18H15S.C15H19F5O2.C13H19F6NO2S.C12H18F4O2.C10H14F4/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;1-9(11,12)10(13,14)8-5-6-2-3-7(8)4-6/h4*1-15H;8-11H,2-7H2,1H3;9-10H,2-8H2,1H3;9H,2-8H2,1H3;6-8H,2-5H2,1H3/q4*+1
• InChIKey: KJRIQCCLCNSZGH-UHFFFAOYSA-N
• XLogP: 34.68
• TPSA: 89.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 26
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2227.68
LogP ≤ 5	34.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)?

The IUPAC name of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium) (CID 159154188) is 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium).

What is the SMILES notation for 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)?

The canonical SMILES for 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium) is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C1CC2CCC1C2.CC(F)(F)C(F)(F)CCOC(=O)C1CCCCC1.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)?

The InChIKey is KJRIQCCLCNSZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15S.C15H19F5O2.C13H19F6NO2S.C12H18F4O2.C10H14F4/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;1-11(13,14)12(15,16)7-8-18-10(17)9-5-3-2-4-6-9;1-9(11,12)10(13,14)8-5-6-2-3-7(8)4-6/h4*1-15H;8-11H,2-7H2,1H3;9-10H,2-8H2,1H3;9H,2-8H2,1H3;6-8H,2-5H2,1H3/q4*+1;;;;.

What are the key properties of 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium)?

2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium) has a molecular weight of 2227.68 g/mol, XLogP of 34.68, 26 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;tetrakis(triphenylsulfanium) is sourced from PubChem (CID 159154188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).