1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)

C155H164F18NO10S6+5 — CID 159662559

About 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)

1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium) (PubChem CID 159662559) has the molecular formula C155H164F18NO10S6+5 and a molecular weight of 2735.38 g/mol. Its IUPAC name is 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)
• PubChem CID: 159662559
• Molecular Formula: C155H164F18NO10S6+5
• Molecular Weight: 2735.38 g/mol
• Exact Mass: 2733.04
• IUPAC Name: 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)
• SMILES: C.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCCOc1cccc2c(O)cccc12.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/5C18H15S.C15H14F2O4.C14H20F2O2.C13H19F6NO2S.C12H18F4O2.C10H14F4.CH4/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(16,17)14(19)21-9-8-20-13-7-3-4-10-11(13)5-2-6-12(10)18;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)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;/h5*1-15H;2-7,18H,8-9H2,1H3;9-11H,2-8H2,1H3;9-10H,2-8H2,1H3;9H,2-8H2,1H3;6-8H,2-5H2,1H3;1H4/q5*+1
• InChIKey: MSZQFHQLPDZOPU-UHFFFAOYSA-N
• XLogP: 42.29
• TPSA: 145.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 34
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2735.38
LogP ≤ 5	42.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)?

The IUPAC name of 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium) (CID 159662559) is 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium).

What is the SMILES notation for 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)?

The canonical SMILES for 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium) is C.CC(F)(F)C(=O)OCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(=O)OCCOc1cccc2c(O)cccc12.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.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.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 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)?

The InChIKey is MSZQFHQLPDZOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/5C18H15S.C15H14F2O4.C14H20F2O2.C13H19F6NO2S.C12H18F4O2.C10H14F4.CH4/c5*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15(16,17)14(19)21-9-8-20-13-7-3-4-10-11(13)5-2-6-12(10)18;1-13(15,16)12(17)18-8-14-5-9-2-10(6-14)4-11(3-9)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;/h5*1-15H;2-7,18H,8-9H2,1H3;9-11H,2-8H2,1H3;9-10H,2-8H2,1H3;9H,2-8H2,1H3;6-8H,2-5H2,1H3;1H4/q5*+1;;;;;;.

What are the key properties of 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium)?

1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium) has a molecular weight of 2735.38 g/mol, XLogP of 42.29, 34 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-adamantylmethyl 2,2-difluoropropanoate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;2-(5-hydroxynaphthalen-1-yl)oxyethyl 2,2-difluoropropanoate;methane;3,3,4,4-tetrafluoropentyl cyclohexanecarboxylate;2-(1,1,2,2-tetrafluoropropyl)bicyclo[2.2.1]heptane;pentakis(triphenylsulfanium) is sourced from PubChem (CID 159662559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).