difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)

C134H141F26NO19S10 — CID 158684134

IUPACdifluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.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)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C28H35F9NO7S3.C27H36F6O6S2.C25H36F2O6S2.3C18H12F3S/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;26-25(27,34(28,29)30)35(31,32)33-24-22(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;3*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);16-20H,1-15H2,(H,28,29,30);3*1-12H/q-1;;;3*+1/p-2
InChIKeyIFNAVZDNRJFICL-UHFFFAOYSA-L
MW2884.21 g/mol
LogP39.05
Rot. Bonds36

About difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)

difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium) (PubChem CID 158684134) has the molecular formula C134H141F26NO19S10 and a molecular weight of 2884.21 g/mol. Its IUPAC name is difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium).

Molecular Properties

Compound Namedifluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)
PubChem CID158684134
Molecular FormulaC134H141F26NO19S10
Molecular Weight2884.21 g/mol
Exact Mass2881.69
IUPAC Namedifluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.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)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C28H35F9NO7S3.C27H36F6O6S2.C25H36F2O6S2.3C18H12F3S/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;26-25(27,34(28,29)30)35(31,32)33-24-22(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;3*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);16-20H,1-15H2,(H,28,29,30);3*1-12H/q-1;;;3*+1/p-2
InChIKeyIFNAVZDNRJFICL-UHFFFAOYSA-L
XLogP39.05
TPSA326.89 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds36
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002884.21
LogP ≤ 539.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)?
The IUPAC name of difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium) (CID 158684134) is difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium).
What is the SMILES notation for difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)?
The canonical SMILES for difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium) is Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.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)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)?
The InChIKey is IFNAVZDNRJFICL-UHFFFAOYSA-L. The full InChI is InChI=1S/C28H35F9NO7S3.C27H36F6O6S2.C25H36F2O6S2.3C18H12F3S/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;26-25(27,34(28,29)30)35(31,32)33-24-22(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;3*19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h16-20H,1-15H2;16-20H,1-15H2,(H,34,35,36);16-20H,1-15H2,(H,28,29,30);3*1-12H/q-1;;;3*+1/p-2.
What are the key properties of difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium)?
difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium) has a molecular weight of 2884.21 g/mol, XLogP of 39.05, 36 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;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;tris(tris(4-fluorophenyl)sulfanium) is sourced from PubChem (CID 158684134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).