difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)

C133H141F25N2O18S10 — CID 159439550

IUPACdifluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(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-]C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C28H35F9NO5S2.C26H35F5NO7S3.C25H36F2O6S2.3C18H12F3S/c29-25(30,26(31,32)38-44(39,40)28(35,36)37)27(33,34)45(41,42)43-24-22(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;27-25(28,29)40(33,34)32-41(35,36)26(30,31)42(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;16-20H,1-15H2,(H,28,29,30);3*1-12H/q2*-1;;3*+1/p-1
InChIKeyLRZQDTPOYDEEPE-UHFFFAOYSA-M
MW2851.21 g/mol
LogP39.46
Rot. Bonds35

About difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)

difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium) (PubChem CID 159439550) has the molecular formula C133H141F25N2O18S10 and a molecular weight of 2851.21 g/mol. Its IUPAC name is difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium).

Molecular Properties

Compound Namedifluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)
PubChem CID159439550
Molecular FormulaC133H141F25N2O18S10
Molecular Weight2851.21 g/mol
Exact Mass2848.70
IUPAC Namedifluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(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-]C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([O-])C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C28H35F9NO5S2.C26H35F5NO7S3.C25H36F2O6S2.3C18H12F3S/c29-25(30,26(31,32)38-44(39,40)28(35,36)37)27(33,34)45(41,42)43-24-22(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;27-25(28,29)40(33,34)32-41(35,36)26(30,31)42(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;16-20H,1-15H2,(H,28,29,30);3*1-12H/q2*-1;;3*+1/p-1
InChIKeyLRZQDTPOYDEEPE-UHFFFAOYSA-M
XLogP39.46
TPSA317.93 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms188
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002851.21
LogP ≤ 539.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(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;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)?
The IUPAC name of difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium) (CID 159439550) is difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium).
What is the SMILES notation for difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)?
The canonical SMILES for difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(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-]C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1)C(F)(F)F.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;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)?
The InChIKey is LRZQDTPOYDEEPE-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H35F9NO5S2.C26H35F5NO7S3.C25H36F2O6S2.3C18H12F3S/c29-25(30,26(31,32)38-44(39,40)28(35,36)37)27(33,34)45(41,42)43-24-22(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;27-25(28,29)40(33,34)32-41(35,36)26(30,31)42(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;16-20H,1-15H2,(H,28,29,30);3*1-12H/q2*-1;;3*+1/p-1.
What are the key properties of difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium)?
difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium) has a molecular weight of 2851.21 g/mol, XLogP of 39.46, 35 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethanesulfonate;[difluoro-(2,4,6-tricyclohexylphenoxy)sulfonylmethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]-(trifluoromethylsulfonyl)azanide;tris(tris(4-fluorophenyl)sulfanium) is sourced from PubChem (CID 159439550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).