adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate

C324H360F8N9O23S11+7 — CID 158383946

IUPACadamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate
SMILESCC(=O)[O-].CC(F)(F)C(=O)OCCOC(=O)n1ccnc1.CC(F)(F)C(=O)OCN1CCOCC1.CCC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)n1ccnc1)(C3)C2.CN(C1CCCCC1)C1CCCCC1.CN1CCC(OC(=O)C(C)(F)F)CC1.CN1CCCC2CCCCC21.CNC12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C21H21S.C19H24F2N2O4.7C18H15S.C13H25N.C11H19N.C11H16O3.C11H14O3.C11H16O2.C10H19N.C9H10F2N2O4.C9H15F2NO2.C8H13F2NO3.C2H4O2/c4*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;1-2-19(20,21)15(24)26-11-17-6-13-5-14(7-17)9-18(8-13,10-17)27-16(25)23-4-3-22-12-23;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-12-11-5-8-2-9(6-11)4-10(3-8)7-11;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-9(10,11)7(14)16-4-5-17-8(15)13-3-2-12-6-13;1-9(10,11)8(13)14-7-3-5-12(2)6-4-7;1-8(9,10)7(12)14-6-11-2-4-13-5-3-11;1-2(3)4/h4*4-15H,1-3H3;3-4,12-14H,2,5-11H2,1H3;7*1-15H;12-13H,2-11H2,1H3;8-10,12H,2-7H2,1H3;7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);9-10H,2-8H2,1H3;2-3,6H,4-5H2,1H3;7H,3-6H2,1-2H3;2-6H2,1H3;1H3,(H,3,4)/q4*+1;;7*+1;;;;;;;;;;/p-4
InChIKeyFHIYWLQCDOWQRA-UHFFFAOYSA-J
MW5253.21 g/mol
LogP70.86
Rot. Bonds53

About adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate

adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate (PubChem CID 158383946) has the molecular formula C324H360F8N9O23S11+7 and a molecular weight of 5253.21 g/mol. Its IUPAC name is adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate.

Molecular Properties

Compound Nameadamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate
PubChem CID158383946
Molecular FormulaC324H360F8N9O23S11+7
Molecular Weight5253.21 g/mol
Exact Mass5248.40
IUPAC Nameadamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate
SMILESCC(=O)[O-].CC(F)(F)C(=O)OCCOC(=O)n1ccnc1.CC(F)(F)C(=O)OCN1CCOCC1.CCC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)n1ccnc1)(C3)C2.CN(C1CCCCC1)C1CCCCC1.CN1CCC(OC(=O)C(C)(F)F)CC1.CN1CCCC2CCCCC21.CNC12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C21H21S.C19H24F2N2O4.7C18H15S.C13H25N.C11H19N.C11H16O3.C11H14O3.C11H16O2.C10H19N.C9H10F2N2O4.C9H15F2NO2.C8H13F2NO3.C2H4O2/c4*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;1-2-19(20,21)15(24)26-11-17-6-13-5-14(7-17)9-18(8-13,10-17)27-16(25)23-4-3-22-12-23;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-12-11-5-8-2-9(6-11)4-10(3-8)7-11;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-9(10,11)7(14)16-4-5-17-8(15)13-3-2-12-6-13;1-9(10,11)8(13)14-7-3-5-12(2)6-4-7;1-8(9,10)7(12)14-6-11-2-4-13-5-3-11;1-2(3)4/h4*4-15H,1-3H3;3-4,12-14H,2,5-11H2,1H3;7*1-15H;12-13H,2-11H2,1H3;8-10,12H,2-7H2,1H3;7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);9-10H,2-8H2,1H3;2-3,6H,4-5H2,1H3;7H,3-6H2,1-2H3;2-6H2,1H3;1H3,(H,3,4)/q4*+1;;7*+1;;;;;;;;;;/p-4
InChIKeyFHIYWLQCDOWQRA-UHFFFAOYSA-J
XLogP70.86
TPSA425.48 Ų
H-Bond Donors2
H-Bond Acceptors32
Rotatable Bonds53
Heavy Atoms375
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005253.21
LogP ≤ 570.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1032

Analyze adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate with MolForge

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Related Compounds

Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 157130025
2-(2,2-Difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;tris(triphenylsulfanium);tris(4-methylphenyl)sulfanium
CID 158032436
Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;tetrakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 158440058
Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 158570695
Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;hexakis(triphenylsulfanium);acetate
CID 158620564
Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 158970358
Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 159867181
2-(2,2-Difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;tetrakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 159870072
Bis(4-methylphenyl)-phenylsulfanium;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;tetrakis(triphenylsulfanium);acetate
CID 160150820
Adamantane-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;pentakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 160329230
2-(2,2-Difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;methane;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;tetrakis(triphenylsulfanium);tris(4-methylphenyl)sulfanium;acetate
CID 160364621
2-(2,2-Difluoropropanoyloxy)ethyl imidazole-1-carboxylate;[3-(2,2-difluoropropanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;8-morpholin-4-yloctyl 2,2-difluoropropanoate;tris(triphenylsulfanium);tris(4-methylphenyl)sulfanium
CID 160460041

Frequently Asked Questions

What is the IUPAC name of adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate?
The IUPAC name of adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate (CID 158383946) is adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate.
What is the SMILES notation for adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate?
The canonical SMILES for adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate is CC(=O)[O-].CC(F)(F)C(=O)OCCOC(=O)n1ccnc1.CC(F)(F)C(=O)OCN1CCOCC1.CCC(F)(F)C(=O)OCC12CC3CC(C1)CC(OC(=O)n1ccnc1)(C3)C2.CN(C1CCCCC1)C1CCCCC1.CN1CCC(OC(=O)C(C)(F)F)CC1.CN1CCCC2CCCCC21.CNC12CC3CC(CC(C3)C1)C2.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C([O-])C12CC3CC(CC(C3)C1)C2.O=C([O-])C12CC3CC(CC(O)(C3)C1)C2.O=C1C2CC3CC1CC(C(=O)[O-])(C3)C2.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate?
The InChIKey is FHIYWLQCDOWQRA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C21H21S.C19H24F2N2O4.7C18H15S.C13H25N.C11H19N.C11H16O3.C11H14O3.C11H16O2.C10H19N.C9H10F2N2O4.C9H15F2NO2.C8H13F2NO3.C2H4O2/c4*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;1-2-19(20,21)15(24)26-11-17-6-13-5-14(7-17)9-18(8-13,10-17)27-16(25)23-4-3-22-12-23;7*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-12-11-5-8-2-9(6-11)4-10(3-8)7-11;12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10;12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14;12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11;1-11-8-4-6-9-5-2-3-7-10(9)11;1-9(10,11)7(14)16-4-5-17-8(15)13-3-2-12-6-13;1-9(10,11)8(13)14-7-3-5-12(2)6-4-7;1-8(9,10)7(12)14-6-11-2-4-13-5-3-11;1-2(3)4/h4*4-15H,1-3H3;3-4,12-14H,2,5-11H2,1H3;7*1-15H;12-13H,2-11H2,1H3;8-10,12H,2-7H2,1H3;7-8,14H,1-6H2,(H,12,13);6-8H,1-5H2,(H,13,14);7-9H,1-6H2,(H,12,13);9-10H,2-8H2,1H3;2-3,6H,4-5H2,1H3;7H,3-6H2,1-2H3;2-6H2,1H3;1H3,(H,3,4)/q4*+1;;7*+1;;;;;;;;;;/p-4.
What are the key properties of adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate?
adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate has a molecular weight of 5253.21 g/mol, XLogP of 70.86, 53 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1-carboxylate;N-cyclohexyl-N-methylcyclohexanamine;[3-(2,2-difluorobutanoyloxymethyl)-1-adamantyl] imidazole-1-carboxylate;2-(2,2-difluoropropanoyloxy)ethyl imidazole-1-carboxylate;3-hydroxyadamantane-1-carboxylate;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;N-methyladamantan-1-amine;(1-methylpiperidin-4-yl) 2,2-difluoropropanoate;morpholin-4-ylmethyl 2,2-difluoropropanoate;4-oxoadamantane-1-carboxylate;heptakis(triphenylsulfanium);tetrakis(tris(4-methylphenyl)sulfanium);acetate is sourced from PubChem (CID 158383946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).