4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate

C202H230F37N11O42S13+4 — CID 159877885

IUPAC4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate
SMILESCC(C)c1cccc(C(C)C)c1CC(=O)C(F)(F)S(=O)(=O)O.CCCCC(CC)C(=O)O[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.O=C(CCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(O[n+]1ccc(-c2ccccc2)cc1)C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.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=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc(-c2cc[n+](OCC3CCCCC3)cc2)cc1.c1ccc(CO[n+]2cccc3ccccc32)cc1.c1ccc2c(c1)ccc[n+]2OCC1CCCCC1.c1ccc2c(c1)ccc[n+]2OCC1CCCCC1
InChIInChI=1S/C28H35F9NO7S3.C19H24NO2.C18H20NO2.C18H22NO.2C16H20NO.C16H14NO.C15H20F2O4S.C14H20F2O4S.C13H16F6O5S2.C12H12NO.C11H7F6NO5S2.2C3F6NO4S2/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;1-3-5-9-16(4-2)19(21)22-20-14-12-18(13-15-20)17-10-7-6-8-11-17;20-18(17-9-5-2-6-10-17)21-19-13-11-16(12-14-19)15-7-3-1-4-8-15;1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;3*1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17;1-9(2)11-6-5-7-12(10(3)4)13(11)8-14(18)15(16,17)22(19,20)21;15-14(16,21(18,19)20)12(17)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13;14-11(15,13(18,19)26(22,23)24)12(16,17)25(20,21)10-4-7-1-8(5-10)3-9(2-7)6-10;1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;2*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2;6-8,10-16H,3-5,9H2,1-2H3;1,3-4,7-8,11-14,17H,2,5-6,9-10H2;2,5-6,9-14,16H,1,3-4,7-8,15H2;2*4-6,9-12,14H,1-3,7-8,13H2;1-12H,13H2;5-7,9-10H,8H2,1-4H3,(H,19,20,21);9-11H,1-8H2,(H,18,19,20);7-9H,1-6H2,(H,22,23,24);2-10H,1H3;1-6H,(H,21,22,23);;/q-1;6*+1;;;;+1;;2*-1
InChIKeyNTDJUUDBSCYLHS-UHFFFAOYSA-N
MW4603.89 g/mol
LogP44.15
Rot. Bonds57

About 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate

4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate (PubChem CID 159877885) has the molecular formula C202H230F37N11O42S13+4 and a molecular weight of 4603.89 g/mol. Its IUPAC name is 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate.

Molecular Properties

Compound Name4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate
PubChem CID159877885
Molecular FormulaC202H230F37N11O42S13+4
Molecular Weight4603.89 g/mol
Exact Mass4600.20
IUPAC Name4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate
SMILESCC(C)c1cccc(C(C)C)c1CC(=O)C(F)(F)S(=O)(=O)O.CCCCC(CC)C(=O)O[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.O=C(CCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(O[n+]1ccc(-c2ccccc2)cc1)C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.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=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc(-c2cc[n+](OCC3CCCCC3)cc2)cc1.c1ccc(CO[n+]2cccc3ccccc32)cc1.c1ccc2c(c1)ccc[n+]2OCC1CCCCC1.c1ccc2c(c1)ccc[n+]2OCC1CCCCC1
InChIInChI=1S/C28H35F9NO7S3.C19H24NO2.C18H20NO2.C18H22NO.2C16H20NO.C16H14NO.C15H20F2O4S.C14H20F2O4S.C13H16F6O5S2.C12H12NO.C11H7F6NO5S2.2C3F6NO4S2/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;1-3-5-9-16(4-2)19(21)22-20-14-12-18(13-15-20)17-10-7-6-8-11-17;20-18(17-9-5-2-6-10-17)21-19-13-11-16(12-14-19)15-7-3-1-4-8-15;1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;3*1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17;1-9(2)11-6-5-7-12(10(3)4)13(11)8-14(18)15(16,17)22(19,20)21;15-14(16,21(18,19)20)12(17)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13;14-11(15,13(18,19)26(22,23)24)12(16,17)25(20,21)10-4-7-1-8(5-10)3-9(2-7)6-10;1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;2*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2;6-8,10-16H,3-5,9H2,1-2H3;1,3-4,7-8,11-14,17H,2,5-6,9-10H2;2,5-6,9-14,16H,1,3-4,7-8,15H2;2*4-6,9-12,14H,1-3,7-8,13H2;1-12H,13H2;5-7,9-10H,8H2,1-4H3,(H,19,20,21);9-11H,1-8H2,(H,18,19,20);7-9H,1-6H2,(H,22,23,24);2-10H,1H3;1-6H,(H,21,22,23);;/q-1;6*+1;;;;+1;;2*-1
InChIKeyNTDJUUDBSCYLHS-UHFFFAOYSA-N
XLogP44.15
TPSA741.25 Ų
H-Bond Donors4
H-Bond Acceptors39
Rotatable Bonds57
Heavy Atoms305
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004603.89
LogP ≤ 544.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1039

Analyze 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate?
The IUPAC name of 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate (CID 159877885) is 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate.
What is the SMILES notation for 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate?
The canonical SMILES for 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate is CC(C)c1cccc(C(C)C)c1CC(=O)C(F)(F)S(=O)(=O)O.CCCCC(CC)C(=O)O[n+]1ccc(-c2ccccc2)cc1.CO[n+]1ccc(-c2ccccc2)cc1.O=C(CCC12CC3CC(CC(C3)C1)C2)C(F)(F)S(=O)(=O)O.O=C(O[n+]1ccc(-c2ccccc2)cc1)C1CCCCC1.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)C12CC3CC(CC(C3)C1)C2.O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)n1ccc2ccccc21.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=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.O=S1(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C1(F)F.c1ccc(-c2cc[n+](OCC3CCCCC3)cc2)cc1.c1ccc(CO[n+]2cccc3ccccc32)cc1.c1ccc2c(c1)ccc[n+]2OCC1CCCCC1.c1ccc2c(c1)ccc[n+]2OCC1CCCCC1.
What is the InChIKey of 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate?
The InChIKey is NTDJUUDBSCYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35F9NO7S3.C19H24NO2.C18H20NO2.C18H22NO.2C16H20NO.C16H14NO.C15H20F2O4S.C14H20F2O4S.C13H16F6O5S2.C12H12NO.C11H7F6NO5S2.2C3F6NO4S2/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;1-3-5-9-16(4-2)19(21)22-20-14-12-18(13-15-20)17-10-7-6-8-11-17;20-18(17-9-5-2-6-10-17)21-19-13-11-16(12-14-19)15-7-3-1-4-8-15;1-3-7-16(8-4-1)15-20-19-13-11-18(12-14-19)17-9-5-2-6-10-17;3*1-2-7-14(8-3-1)13-18-17-12-6-10-15-9-4-5-11-16(15)17;1-9(2)11-6-5-7-12(10(3)4)13(11)8-14(18)15(16,17)22(19,20)21;15-14(16,21(18,19)20)12(17)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13;14-11(15,13(18,19)26(22,23)24)12(16,17)25(20,21)10-4-7-1-8(5-10)3-9(2-7)6-10;1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11;12-9(13,11(16,17)25(21,22)23)10(14,15)24(19,20)18-6-5-7-3-1-2-4-8(7)18;2*4-1(5)2(6,7)15(11,12)10-16(13,14)3(1,8)9/h16-20H,1-15H2;6-8,10-16H,3-5,9H2,1-2H3;1,3-4,7-8,11-14,17H,2,5-6,9-10H2;2,5-6,9-14,16H,1,3-4,7-8,15H2;2*4-6,9-12,14H,1-3,7-8,13H2;1-12H,13H2;5-7,9-10H,8H2,1-4H3,(H,19,20,21);9-11H,1-8H2,(H,18,19,20);7-9H,1-6H2,(H,22,23,24);2-10H,1H3;1-6H,(H,21,22,23);;/q-1;6*+1;;;;+1;;2*-1.
What are the key properties of 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate?
4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate has a molecular weight of 4603.89 g/mol, XLogP of 44.15, 57 rotatable bonds, 4 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-1,1-difluoro-2-oxobutane-1-sulfonic acid;3-(1-adamantylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid;1-(cyclohexylmethoxy)-4-phenylpyridin-1-ium;bis(1-(cyclohexylmethoxy)quinolin-1-ium);3-[2,6-di(propan-2-yl)phenyl]-1,1-difluoro-2-oxopropane-1-sulfonic acid;1,1,2,2,3,3-hexafluoro-3-indol-1-ylsulfonylpropane-1-sulfonic acid;bis(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;1-methoxy-4-phenylpyridin-1-ium;1-phenylmethoxyquinolin-1-ium;(4-phenylpyridin-1-ium-1-yl) cyclohexanecarboxylate;(4-phenylpyridin-1-ium-1-yl) 2-ethylhexanoate is sourced from PubChem (CID 159877885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).