2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)

C176H194F28O34S13 — CID 162072133

About 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)

2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium) (PubChem CID 162072133) has the molecular formula C176H194F28O34S13 and a molecular weight of 3802.27 g/mol. Its IUPAC name is 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium).

Molecular Properties

• Compound Name: 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)
• PubChem CID: 162072133
• Molecular Formula: C176H194F28O34S13
• Molecular Weight: 3802.27 g/mol
• Exact Mass: 3798.94
• IUPAC Name: 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)
• SMILES: CC(C)(C)OC(=O)OC1CC2CC1CC2C(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CS(=O)(=O)OC1CC2CC1CC2C(F)(F)C(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=S(=O)([O-])C(C1CC2CC(O)C1C2)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/3C18H23OS.3C18H15S.C14H20F4O6S.C14H20F4O5S.C10H12F6O4S.C10H13F5O5S.C10H7F5O5S.C10H14F4O6S2/c3*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2,3)24-11(19)23-10-6-7-4-8(10)5-9(7)13(15,16)14(17,18)25(20,21)22;15-13(16,14(17,18)24(19,20)21)10-6-9-5-8(10)7-11(9)23-12-3-1-2-4-22-12;11-9(12,13)8(10(14,15)16,21(18,19)20)6-2-4-1-5(6)7(17)3-4;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;1-21(15,16)20-8-4-5-2-6(8)3-7(5)9(11,12)10(13,14)22(17,18)19/h3*4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;7-10H,4-6H2,1-3H3,(H,20,21,22);8-12H,1-7H2,(H,19,20,21);4-7,17H,1-3H2,(H,18,19,20);6,8H,1-5H2,(H,17,18,19);1-5,8H,(H,17,18,19);5-8H,2-4H2,1H3,(H,17,18,19)/q6*+1;;;;;;/p-6
• InChIKey: ZBFPMMQZCUKVAK-UHFFFAOYSA-H
• XLogP: 41.60
• TPSA: 541.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3802.27
LogP ≤ 5	41.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	34

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'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)?

The IUPAC name of 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium) (CID 162072133) is 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium).

What is the SMILES notation for 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)?

The canonical SMILES for 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium) is CC(C)(C)OC(=O)OC1CC2CC1CC2C(F)(F)C(F)(F)S(=O)(=O)[O-].CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CS(=O)(=O)OC1CC2CC1CC2C(F)(F)C(F)(F)S(=O)(=O)[O-].O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])C1CCCCC1.O=C(OC(C(F)(F)F)C(F)(F)S(=O)(=O)[O-])c1ccccc1.O=S(=O)([O-])C(C1CC2CC(O)C1C2)(C(F)(F)F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CC1CC2OC1CCCCO1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)?

The InChIKey is ZBFPMMQZCUKVAK-UHFFFAOYSA-H. The full InChI is InChI=1S/3C18H23OS.3C18H15S.C14H20F4O6S.C14H20F4O5S.C10H12F6O4S.C10H13F5O5S.C10H7F5O5S.C10H14F4O6S2/c3*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12(2,3)24-11(19)23-10-6-7-4-8(10)5-9(7)13(15,16)14(17,18)25(20,21)22;15-13(16,14(17,18)24(19,20)21)10-6-9-5-8(10)7-11(9)23-12-3-1-2-4-22-12;11-9(12,13)8(10(14,15)16,21(18,19)20)6-2-4-1-5(6)7(17)3-4;2*11-9(12,13)8(10(14,15)21(17,18)19)20-7(16)6-4-2-1-3-5-6;1-21(15,16)20-8-4-5-2-6(8)3-7(5)9(11,12)10(13,14)22(17,18)19/h3*4-5,8-11H,2-3,6-7,12-14H2,1H3;3*1-15H;7-10H,4-6H2,1-3H3,(H,20,21,22);8-12H,1-7H2,(H,19,20,21);4-7,17H,1-3H2,(H,18,19,20);6,8H,1-5H2,(H,17,18,19);1-5,8H,(H,17,18,19);5-8H,2-4H2,1H3,(H,17,18,19)/q6*+1;;;;;;/p-6.

What are the key properties of 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium)?

2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium) has a molecular weight of 3802.27 g/mol, XLogP of 41.60, 48 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-benzoyloxy-1,1,3,3,3-pentafluoropropane-1-sulfonate;tris(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);2-(cyclohexanecarbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonate;1,1,1,3,3,3-hexafluoro-2-(6-hydroxy-2-bicyclo[2.2.1]heptanyl)propane-2-sulfonate;1,1,2,2-tetrafluoro-2-[5-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;1,1,2,2-tetrafluoro-2-(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonate;1,1,2,2-tetrafluoro-2-[5-(oxan-2-yloxy)-2-bicyclo[2.2.1]heptanyl]ethanesulfonate;tris(triphenylsulfanium) is sourced from PubChem (CID 162072133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).