2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)

C213H259F31NO29S15+3 — CID 158636808

About 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)

2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium) (PubChem CID 158636808) has the molecular formula C213H259F31NO29S15+3 and a molecular weight of 4367.34 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium).

Molecular Properties

• Compound Name: 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)
• PubChem CID: 158636808
• Molecular Formula: C213H259F31NO29S15+3
• Molecular Weight: 4367.34 g/mol
• Exact Mass: 4363.41
• IUPAC Name: 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)
• SMILES: CCCCCCCCCCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CC1CC2O.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H35F9NO7S3.C27H36F6O6S2.C26H39OS.2C21H21S.2C18H23OS.C18H15S.C10H12F6O3S.C9H12F4O4S.C9H12F4O3S.C8H12F2O3S/c29-25(30,26(31,32)46(39,40)38-47(41,42)28(35,36)37)27(33,34)48(43,44)45-24-22(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;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;1-2-3-4-5-6-7-8-9-10-13-20-27-25-18-19-26(28-21-14-15-22-28)24-17-12-11-16-23(24)25;2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-8(12,7-4-5-1-2-6(7)3-5)9(13,14)10(15,16)20(17,18)19;10-8(11,9(12,13)18(15,16)17)6-2-5-1-4(6)3-7(5)14;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);11-12,16-19H,2-10,13-15,20-22H2,1H3;2*4-15H,1-3H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;5-7H,1-4H2,(H,17,18,19);4-7,14H,1-3H2,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);5-7H,1-4H2,(H,11,12,13)/q-1;;6*+1;;;;/p-2
• InChIKey: HZWIFBJSKCAVDA-UHFFFAOYSA-L
• XLogP: 59.29
• TPSA: 494.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 64
• Heavy Atoms: 289
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4367.34
LogP ≤ 5	59.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)?

The IUPAC name of 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium) (CID 158636808) is 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium).

What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)?

The canonical SMILES for 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium) is CCCCCCCCCCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.CCCCOc1ccc([S+]2CCCC2)c2ccccc12.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CC1CC2O.O=S(=O)(O)C(F)(F)C(F)(F)C1CC2CCC1C2.O=S(=O)([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)?

The InChIKey is HZWIFBJSKCAVDA-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H35F9NO7S3.C27H36F6O6S2.C26H39OS.2C21H21S.2C18H23OS.C18H15S.C10H12F6O3S.C9H12F4O4S.C9H12F4O3S.C8H12F2O3S/c29-25(30,26(31,32)46(39,40)38-47(41,42)28(35,36)37)27(33,34)48(43,44)45-24-22(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;28-25(29,26(30,31)40(34,35)36)27(32,33)41(37,38)39-24-22(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;1-2-3-4-5-6-7-8-9-10-13-20-27-25-18-19-26(28-21-14-15-22-28)24-17-12-11-16-23(24)25;2*1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;2*1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;11-8(12,7-4-5-1-2-6(7)3-5)9(13,14)10(15,16)20(17,18)19;10-8(11,9(12,13)18(15,16)17)6-2-5-1-4(6)3-7(5)14;10-8(11,9(12,13)17(14,15)16)7-4-5-1-2-6(7)3-5;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);11-12,16-19H,2-10,13-15,20-22H2,1H3;2*4-15H,1-3H3;2*4-5,8-11H,2-3,6-7,12-14H2,1H3;1-15H;5-7H,1-4H2,(H,17,18,19);4-7,14H,1-3H2,(H,15,16,17);5-7H,1-4H2,(H,14,15,16);5-7H,1-4H2,(H,11,12,13)/q-1;;6*+1;;;;/p-2.

What are the key properties of 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium)?

2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium) has a molecular weight of 4367.34 g/mol, XLogP of 59.29, 64 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;3-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;2-(2-bicyclo[2.2.1]heptanyl)-1,1,2,2-tetrafluoroethanesulfonic acid;bis(1-(4-butoxynaphthalen-1-yl)thiolan-1-ium);1-(4-dodecoxynaphthalen-1-yl)thiolan-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropane-1-sulfonate;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1,1,2,2-tetrafluoro-2-(5-hydroxy-2-bicyclo[2.2.1]heptanyl)ethanesulfonic acid;triphenylsulfanium;bis(tris(4-methylphenyl)sulfanium) is sourced from PubChem (CID 158636808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).