2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate

C171H221F25N12O39S10+4 — CID 159431872

IUPAC2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate
SMILESC=CCO[n+]1c(C)cc(C)cc1C.C=CCO[n+]1cccc2ccccc21.C=CO[n+]1cccc2ccccc21.CC(C)c1cccc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CC([O-])=NS(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C)[n+](OC(=O)N2CCCCC2)c(C)c1.Cc1cc(C)[n+](OC(=O)N2CCOCC2)c(C)c1.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)O.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(O[n+]1ccc(-c2ccccc2)cc1)N1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C28H38F6NO6S3.C27H36F6O5S2.C17H19N2O2.C15H18F6O6S2.C14H21N2O2.C13H18F2O5S.C13H19N2O3.C12H12NO.C11H10NO.C11H16NO.C7H11F2NO4S.C3H4F3NO3S/c1-42(36,37)35-44(40,41)28(33,34)26(29,30)27(31,32)43(38,39)25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;20-17(18-11-5-2-6-12-18)21-19-13-9-16(10-14-19)15-7-3-1-4-8-15;1-8(2)10-6-5-7-11(9(3)4)12(10)27-29(25,26)15(20,21)13(16,17)14(18,19)28(22,23)24;1-11-9-12(2)16(13(3)10-11)18-14(17)15-7-5-4-6-8-15;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;1-10-8-11(2)15(12(3)9-10)18-13(16)14-4-6-17-7-5-14;1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13;1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;1-5-6-13-12-10(3)7-9(2)8-11(12)4;8-7(9,15(12,13)14)6(11)10-4-2-1-3-5-10;1-2(8)7-11(9,10)3(4,5)6/h17-21H,2-16H2,1H3;16-20H,1-15H2,(H,36,37,38);1,3-4,7-10,13-14H,2,5-6,11-12H2;5-9H,1-4H3,(H,22,23,24);9-10H,4-8H2,1-3H3;8-10H,1-7H2,(H,17,18,19);8-9H,4-7H2,1-3H3;2-9H,1,10H2;2-9H,1H2;5,7-8H,1,6H2,2-4H3;1-5H2,(H,12,13,14);1H3,(H,7,8)/q-1;;+1;;+1;;4*+1;;/p-1
InChIKeyLRBVOOWPYRRTSO-UHFFFAOYSA-M
MW3864.31 g/mol
LogP33.42
Rot. Bonds45

About 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate

2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate (PubChem CID 159431872) has the molecular formula C171H221F25N12O39S10+4 and a molecular weight of 3864.31 g/mol. Its IUPAC name is 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate.

Molecular Properties

Compound Name2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate
PubChem CID159431872
Molecular FormulaC171H221F25N12O39S10+4
Molecular Weight3864.31 g/mol
Exact Mass3861.25
IUPAC Name2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate
SMILESC=CCO[n+]1c(C)cc(C)cc1C.C=CCO[n+]1cccc2ccccc21.C=CO[n+]1cccc2ccccc21.CC(C)c1cccc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CC([O-])=NS(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C)[n+](OC(=O)N2CCCCC2)c(C)c1.Cc1cc(C)[n+](OC(=O)N2CCOCC2)c(C)c1.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)O.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(O[n+]1ccc(-c2ccccc2)cc1)N1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1
InChIInChI=1S/C28H38F6NO6S3.C27H36F6O5S2.C17H19N2O2.C15H18F6O6S2.C14H21N2O2.C13H18F2O5S.C13H19N2O3.C12H12NO.C11H10NO.C11H16NO.C7H11F2NO4S.C3H4F3NO3S/c1-42(36,37)35-44(40,41)28(33,34)26(29,30)27(31,32)43(38,39)25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;20-17(18-11-5-2-6-12-18)21-19-13-9-16(10-14-19)15-7-3-1-4-8-15;1-8(2)10-6-5-7-11(9(3)4)12(10)27-29(25,26)15(20,21)13(16,17)14(18,19)28(22,23)24;1-11-9-12(2)16(13(3)10-11)18-14(17)15-7-5-4-6-8-15;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;1-10-8-11(2)15(12(3)9-10)18-13(16)14-4-6-17-7-5-14;1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13;1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;1-5-6-13-12-10(3)7-9(2)8-11(12)4;8-7(9,15(12,13)14)6(11)10-4-2-1-3-5-10;1-2(8)7-11(9,10)3(4,5)6/h17-21H,2-16H2,1H3;16-20H,1-15H2,(H,36,37,38);1,3-4,7-10,13-14H,2,5-6,11-12H2;5-9H,1-4H3,(H,22,23,24);9-10H,4-8H2,1-3H3;8-10H,1-7H2,(H,17,18,19);8-9H,4-7H2,1-3H3;2-9H,1,10H2;2-9H,1H2;5,7-8H,1,6H2,2-4H3;1-5H2,(H,12,13,14);1H3,(H,7,8)/q-1;;+1;;+1;;4*+1;;/p-1
InChIKeyLRBVOOWPYRRTSO-UHFFFAOYSA-M
XLogP33.42
TPSA676.50 Ų
H-Bond Donors4
H-Bond Acceptors35
Rotatable Bonds45
Heavy Atoms257
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003864.31
LogP ≤ 533.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1035

Analyze 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate?
The IUPAC name of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate (CID 159431872) is 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate.
What is the SMILES notation for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate?
The canonical SMILES for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate is C=CCO[n+]1c(C)cc(C)cc1C.C=CCO[n+]1cccc2ccccc21.C=CO[n+]1cccc2ccccc21.CC(C)c1cccc(C(C)C)c1OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.CC([O-])=NS(=O)(=O)C(F)(F)F.CS(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.Cc1cc(C)[n+](OC(=O)N2CCCCC2)c(C)c1.Cc1cc(C)[n+](OC(=O)N2CCOCC2)c(C)c1.O=C(N1CCCCC1)C(F)(F)S(=O)(=O)O.O=C(OCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(O[n+]1ccc(-c2ccccc2)cc1)N1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)c1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.
What is the InChIKey of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate?
The InChIKey is LRBVOOWPYRRTSO-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H38F6NO6S3.C27H36F6O5S2.C17H19N2O2.C15H18F6O6S2.C14H21N2O2.C13H18F2O5S.C13H19N2O3.C12H12NO.C11H10NO.C11H16NO.C7H11F2NO4S.C3H4F3NO3S/c1-42(36,37)35-44(40,41)28(33,34)26(29,30)27(31,32)43(38,39)25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;28-25(29,27(32,33)40(36,37)38)26(30,31)39(34,35)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;20-17(18-11-5-2-6-12-18)21-19-13-9-16(10-14-19)15-7-3-1-4-8-15;1-8(2)10-6-5-7-11(9(3)4)12(10)27-29(25,26)15(20,21)13(16,17)14(18,19)28(22,23)24;1-11-9-12(2)16(13(3)10-11)18-14(17)15-7-5-4-6-8-15;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12;1-10-8-11(2)15(12(3)9-10)18-13(16)14-4-6-17-7-5-14;1-2-10-14-13-9-5-7-11-6-3-4-8-12(11)13;1-2-13-12-9-5-7-10-6-3-4-8-11(10)12;1-5-6-13-12-10(3)7-9(2)8-11(12)4;8-7(9,15(12,13)14)6(11)10-4-2-1-3-5-10;1-2(8)7-11(9,10)3(4,5)6/h17-21H,2-16H2,1H3;16-20H,1-15H2,(H,36,37,38);1,3-4,7-10,13-14H,2,5-6,11-12H2;5-9H,1-4H3,(H,22,23,24);9-10H,4-8H2,1-3H3;8-10H,1-7H2,(H,17,18,19);8-9H,4-7H2,1-3H3;2-9H,1,10H2;2-9H,1H2;5,7-8H,1,6H2,2-4H3;1-5H2,(H,12,13,14);1H3,(H,7,8)/q-1;;+1;;+1;;4*+1;;/p-1.
What are the key properties of 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate?
2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate has a molecular weight of 3864.31 g/mol, XLogP of 33.42, 45 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid;1,1-difluoro-2-oxo-2-piperidin-1-ylethanesulfonic acid;3-[2,6-di(propan-2-yl)phenoxy]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-ethenoxyquinolin-1-ium;1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropane-1-sulfonic acid;[1,1,2,2,3,3-hexafluoro-3-(2,4,6-tricyclohexylphenyl)sulfonylpropyl]sulfonyl-methylsulfonylazanide;(4-phenylpyridin-1-ium-1-yl) piperidine-1-carboxylate;1-prop-2-enoxyquinolin-1-ium;N-(trifluoromethylsulfonyl)ethanimidate;2,4,6-trimethyl-1-prop-2-enoxypyridin-1-ium;(2,4,6-trimethylpyridin-1-ium-1-yl) morpholine-4-carboxylate;(2,4,6-trimethylpyridin-1-ium-1-yl) piperidine-1-carboxylate is sourced from PubChem (CID 159431872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).