2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium

C128H136F20N2O19S11 — CID 158270654

IUPAC2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H35F9NO7S3.C24H36O3S.C18H12F3S.2C18H15S.C13H18F2O5S.C6H6S.C3F6NO4S2/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;25-28(26,27)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;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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;7-6-4-2-1-3-5-6;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2;16-20H,1-15H2,(H,25,26,27);1-12H;2*1-15H;8-10H,1-7H2,(H,17,18,19);1-5,7H;/q-1;;3*+1;;;-1/p-1
InChIKeyGIZHCFVJDFNIPF-UHFFFAOYSA-M
MW2739.19 g/mol
LogP34.20
Rot. Bonds28

About 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium

2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium (PubChem CID 158270654) has the molecular formula C128H136F20N2O19S11 and a molecular weight of 2739.19 g/mol. Its IUPAC name is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium.

Molecular Properties

Compound Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
PubChem CID158270654
Molecular FormulaC128H136F20N2O19S11
Molecular Weight2739.19 g/mol
Exact Mass2736.63
IUPAC Name2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium
SMILESFc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H35F9NO7S3.C24H36O3S.C18H12F3S.2C18H15S.C13H18F2O5S.C6H6S.C3F6NO4S2/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;25-28(26,27)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;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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;7-6-4-2-1-3-5-6;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2;16-20H,1-15H2,(H,25,26,27);1-12H;2*1-15H;8-10H,1-7H2,(H,17,18,19);1-5,7H;/q-1;;3*+1;;;-1/p-1
InChIKeyGIZHCFVJDFNIPF-UHFFFAOYSA-M
XLogP34.20
TPSA348.83 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms180
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002739.19
LogP ≤ 534.20
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 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
The IUPAC name of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium (CID 158270654) is 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium.
What is the SMILES notation for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
The canonical SMILES for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium is Fc1ccc([S+](c2ccc(F)cc2)c2ccc(F)cc2)cc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.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-])c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.[SH2+]c1ccccc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
The InChIKey is GIZHCFVJDFNIPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H35F9NO7S3.C24H36O3S.C18H12F3S.2C18H15S.C13H18F2O5S.C6H6S.C3F6NO4S2/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;25-28(26,27)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;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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)7-20-11(16)12-4-8-1-9(5-12)3-10(2-8)6-12;7-6-4-2-1-3-5-6;4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2;16-20H,1-15H2,(H,25,26,27);1-12H;2*1-15H;8-10H,1-7H2,(H,17,18,19);1-5,7H;/q-1;;3*+1;;;-1/p-1.
What are the key properties of 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium?
2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium has a molecular weight of 2739.19 g/mol, XLogP of 34.20, 28 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(adamantane-1-carbonyloxy)-1,1-difluoroethanesulfonate;4,4,5,5,6,6-hexafluoro-1λ6,3λ6-dithia-2-azanidacyclohexane 1,1,3,3-tetraoxide;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenoxy)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;phenylsulfanium;2,4,6-tricyclohexylbenzenesulfonate;bis(triphenylsulfanium);tris(4-fluorophenyl)sulfanium is sourced from PubChem (CID 158270654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).