[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium

C175H220F18N2O22S11+2 — CID 161166249

IUPAC[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium
SMILESCC(C(F)(F)F)(C(F)(F)C1CC2CCC1C2)S(=O)(=O)[O-].CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCC2CCCCC2C1.C[S+](C)c1ccccc1.C[S+](c1ccccc1)C1CCCCC1.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C22H23S.C21H27OS.C20H29OS.C18H15S.C15H19F5O2.C14H18F2O4S.C13H16F2O3.C13H19S.C12H19F2N2O5S2.C11H15F5O3S.C8H12F2O3S.C8H11S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-22(18,19)15-23(20,21)12(13,14)11(17)16-7-6-9-4-2-3-5-10(9)8-16;1-9(11(14,15)16,20(17,18)19)10(12,13)8-5-6-2-3-7(8)4-6;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5;1-9(2)8-6-4-3-5-7-8/h4-17H,1-3H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;1-15H;8-11H,2-7H2,1H3;6-12H,1-5H2,(H,18,19,20);7-9H,2-6H2,1H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;9-10H,2-8H2,1H3;6-8H,2-5H2,1H3,(H,17,18,19);5-7H,1-4H2,(H,11,12,13);3-7H,1-2H3/q4*+1;;;;+1;-1;;;+1/p-3
InChIKeyUQOPTTRBLWQQEL-UHFFFAOYSA-K
MW3398.38 g/mol
LogP41.53
Rot. Bonds34

About [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium

[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium (PubChem CID 161166249) has the molecular formula C175H220F18N2O22S11+2 and a molecular weight of 3398.38 g/mol. Its IUPAC name is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium.

Molecular Properties

Compound Name[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium
PubChem CID161166249
Molecular FormulaC175H220F18N2O22S11+2
Molecular Weight3398.38 g/mol
Exact Mass3395.28
IUPAC Name[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium
SMILESCC(C(F)(F)F)(C(F)(F)C1CC2CCC1C2)S(=O)(=O)[O-].CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCC2CCCCC2C1.C[S+](C)c1ccccc1.C[S+](c1ccccc1)C1CCCCC1.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1
InChIInChI=1S/C22H23S.C21H27OS.C20H29OS.C18H15S.C15H19F5O2.C14H18F2O4S.C13H16F2O3.C13H19S.C12H19F2N2O5S2.C11H15F5O3S.C8H12F2O3S.C8H11S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-22(18,19)15-23(20,21)12(13,14)11(17)16-7-6-9-4-2-3-5-10(9)8-16;1-9(11(14,15)16,20(17,18)19)10(12,13)8-5-6-2-3-7(8)4-6;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5;1-9(2)8-6-4-3-5-7-8/h4-17H,1-3H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;1-15H;8-11H,2-7H2,1H3;6-12H,1-5H2,(H,18,19,20);7-9H,2-6H2,1H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;9-10H,2-8H2,1H3;6-8H,2-5H2,1H3,(H,17,18,19);5-7H,1-4H2,(H,11,12,13);3-7H,1-2H3/q4*+1;;;;+1;-1;;;+1/p-3
InChIKeyUQOPTTRBLWQQEL-UHFFFAOYSA-K
XLogP41.53
TPSA387.33 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds34
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003398.38
LogP ≤ 541.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium?
The IUPAC name of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium (CID 161166249) is [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium.
What is the SMILES notation for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium?
The canonical SMILES for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium is CC(C(F)(F)F)(C(F)(F)C1CC2CCC1C2)S(=O)(=O)[O-].CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(F)(F)C(=O)OC12CC3CC(C1)C(=O)C(C3)C2.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(=O)N1CCC2CCCCC2C1.C[S+](C)c1ccccc1.C[S+](c1ccccc1)C1CCCCC1.O=C(C1CC2CC1C1C3CCC(C3)C21)C(F)(F)S(=O)(=O)[O-].O=S(=O)([O-])C(F)(F)C1CC2CCC1C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc2c([S+]3CCCC3)ccc(OCC3CCCCC3)c2c1.
What is the InChIKey of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium?
The InChIKey is UQOPTTRBLWQQEL-UHFFFAOYSA-K. The full InChI is InChI=1S/C22H23S.C21H27OS.C20H29OS.C18H15S.C15H19F5O2.C14H18F2O4S.C13H16F2O3.C13H19S.C12H19F2N2O5S2.C11H15F5O3S.C8H12F2O3S.C8H11S/c1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-8-17(9-3-1)16-22-20-12-13-21(23-14-6-7-15-23)19-11-5-4-10-18(19)20;1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;15-14(16,21(18,19)20)13(17)10-5-8-4-9(10)12-7-2-1-6(3-7)11(8)12;1-12(14,15)11(17)18-13-4-7-2-8(5-13)10(16)9(3-7)6-13;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-22(18,19)15-23(20,21)12(13,14)11(17)16-7-6-9-4-2-3-5-10(9)8-16;1-9(11(14,15)16,20(17,18)19)10(12,13)8-5-6-2-3-7(8)4-6;9-8(10,14(11,12)13)7-4-5-1-2-6(7)3-5;1-9(2)8-6-4-3-5-7-8/h4-17H,1-3H3;4-5,10-13,17H,1-3,6-9,14-16H2;10-13,16H,3-9,14-15H2,1-2H3;1-15H;8-11H,2-7H2,1H3;6-12H,1-5H2,(H,18,19,20);7-9H,2-6H2,1H3;2,4-5,8-9,13H,3,6-7,10-11H2,1H3;9-10H,2-8H2,1H3;6-8H,2-5H2,1H3,(H,17,18,19);5-7H,1-4H2,(H,11,12,13);3-7H,1-2H3/q4*+1;;;;+1;-1;;;+1/p-3.
What are the key properties of [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium?
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium has a molecular weight of 3398.38 g/mol, XLogP of 41.53, 34 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1,1-difluoro-2-oxoethyl]sulfonyl-methylsulfonylazanide;2-bicyclo[2.2.1]heptanyl(difluoro)methanesulfonate;1-(2-bicyclo[2.2.1]heptanyl)-1,1,3,3,3-pentafluoro-2-methylpropane-2-sulfonate;(4-tert-butylphenyl)-diphenylsulfanium;1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;cyclohexyl-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1-difluoro-2-oxo-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)ethanesulfonate;dimethyl(phenyl)sulfanium;(4-oxo-1-adamantyl) 2,2-difluoropropanoate;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;triphenylsulfanium is sourced from PubChem (CID 161166249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).