3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one

C170H182F60O26S10+10 — CID 158397563

IUPAC3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one
SMILESC.C.CC(C)(C)C(C(=O)c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc1)[S+]1CCCC1.O=C(C[S+]1CCCC1)c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc1.O=C1CC[S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)c3ccccc23)CC1.O=C1CC[S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)CC1.OC(COc1ccc([S+]2CCCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCC2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCCC2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCOCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCOCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H25F6O3S.C19H17F6O3S.C19H19F6O2S.C18H17F6O3S.C18H17F6O2S.C16H17F6O3S.C15H15F6O3S.C15H17F6O2S.C14H15F6O3S.C14H15F6O2S.2CH4/c1-17(2,3)16(30-10-4-5-11-30)15(27)13-6-8-14(9-7-13)29-12-18(28,19(21,22)23)20(24,25)26;20-18(21,22)17(27,19(23,24)25)11-28-15-5-6-16(14-4-2-1-3-13(14)15)29-9-7-12(26)8-10-29;20-18(21,22)17(26,19(23,24)25)12-27-15-8-9-16(28-10-4-1-5-11-28)14-7-3-2-6-13(14)15;19-17(20,21)16(25,18(22,23)24)11-27-14-5-6-15(28-9-7-26-8-10-28)13-4-2-1-3-12(13)14;19-17(20,21)16(25,18(22,23)24)11-26-14-7-8-15(27-9-3-4-10-27)13-6-2-1-5-12(13)14;17-15(18,19)14(24,16(20,21)22)10-25-12-5-3-11(4-6-12)13(23)9-26-7-1-2-8-26;16-14(17,18)13(23,15(19,20)21)9-24-11-1-3-12(4-2-11)25-7-5-10(22)6-8-25;16-14(17,18)13(22,15(19,20)21)10-23-11-4-6-12(7-5-11)24-8-2-1-3-9-24;15-13(16,17)12(21,14(18,19)20)9-23-10-1-3-11(4-2-10)24-7-5-22-6-8-24;15-13(16,17)12(21,14(18,19)20)9-22-10-3-5-11(6-4-10)23-7-1-2-8-23;;/h6-9,16,28H,4-5,10-12H2,1-3H3;1-6,27H,7-11H2;2-3,6-9,26H,1,4-5,10-12H2;1-6,25H,7-11H2;1-2,5-8,25H,3-4,9-11H2;3-6,24H,1-2,7-10H2;1-4,23H,5-9H2;4-7,22H,1-3,8-10H2;1-4,21H,5-9H2;3-6,21H,1-2,7-9H2;2*1H4/q10*+1;;
InChIKeyGXRVKHXXMUKMEO-UHFFFAOYSA-N
MW4101.85 g/mol
LogP42.26
Rot. Bonds44

About 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one

3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one (PubChem CID 158397563) has the molecular formula C170H182F60O26S10+10 and a molecular weight of 4101.85 g/mol. Its IUPAC name is 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one.

Molecular Properties

Compound Name3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one
PubChem CID158397563
Molecular FormulaC170H182F60O26S10+10
Molecular Weight4101.85 g/mol
Exact Mass4098.91
IUPAC Name3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one
SMILESC.C.CC(C)(C)C(C(=O)c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc1)[S+]1CCCC1.O=C(C[S+]1CCCC1)c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc1.O=C1CC[S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)c3ccccc23)CC1.O=C1CC[S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)CC1.OC(COc1ccc([S+]2CCCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCC2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCCC2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCOCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCOCC2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H25F6O3S.C19H17F6O3S.C19H19F6O2S.C18H17F6O3S.C18H17F6O2S.C16H17F6O3S.C15H15F6O3S.C15H17F6O2S.C14H15F6O3S.C14H15F6O2S.2CH4/c1-17(2,3)16(30-10-4-5-11-30)15(27)13-6-8-14(9-7-13)29-12-18(28,19(21,22)23)20(24,25)26;20-18(21,22)17(27,19(23,24)25)11-28-15-5-6-16(14-4-2-1-3-13(14)15)29-9-7-12(26)8-10-29;20-18(21,22)17(26,19(23,24)25)12-27-15-8-9-16(28-10-4-1-5-11-28)14-7-3-2-6-13(14)15;19-17(20,21)16(25,18(22,23)24)11-27-14-5-6-15(28-9-7-26-8-10-28)13-4-2-1-3-12(13)14;19-17(20,21)16(25,18(22,23)24)11-26-14-7-8-15(27-9-3-4-10-27)13-6-2-1-5-12(13)14;17-15(18,19)14(24,16(20,21)22)10-25-12-5-3-11(4-6-12)13(23)9-26-7-1-2-8-26;16-14(17,18)13(23,15(19,20)21)9-24-11-1-3-12(4-2-11)25-7-5-10(22)6-8-25;16-14(17,18)13(22,15(19,20)21)10-23-11-4-6-12(7-5-11)24-8-2-1-3-9-24;15-13(16,17)12(21,14(18,19)20)9-23-10-1-3-11(4-2-10)24-7-5-22-6-8-24;15-13(16,17)12(21,14(18,19)20)9-22-10-3-5-11(6-4-10)23-7-1-2-8-23;;/h6-9,16,28H,4-5,10-12H2,1-3H3;1-6,27H,7-11H2;2-3,6-9,26H,1,4-5,10-12H2;1-6,25H,7-11H2;1-2,5-8,25H,3-4,9-11H2;3-6,24H,1-2,7-10H2;1-4,23H,5-9H2;4-7,22H,1-3,8-10H2;1-4,21H,5-9H2;3-6,21H,1-2,7-9H2;2*1H4/q10*+1;;
InChIKeyGXRVKHXXMUKMEO-UHFFFAOYSA-N
XLogP42.26
TPSA381.34 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004101.85
LogP ≤ 542.26
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one with MolForge

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Launch Full Analysis

Related Compounds

CID 157102018
CID 157102018
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 157135510
1-[4-[2-(2-Methoxyethoxy)ethoxy]naphthalen-1-yl]thian-1-ium;1-[4-[2-(2-methoxyethoxy)ethoxy]naphthalen-1-yl]thiolan-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;[4-(thian-1-ium-1-yl)naphthalen-1-yl] acetate;[4-(thian-1-ium-1-yl)naphthalen-1-yl] 2,2,2-trifluoroacetate;[4-(thiolan-1-ium-1-yl)naphthalen-1-yl] acetate;[4-(thiolan-1-ium-1-yl)naphthalen-1-yl] 2,2,2-trifluoroacetate
CID 157175896
4-(4-Butoxy-3,5-dimethylphenyl)-1,4-oxathian-4-ium;4-(4-butoxynaphthalen-1-yl)-1,4-oxathian-4-ium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;4-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium
CID 157260055
Bis(1-adamantylmethyl 2,2-difluoropropanoate);1-[4-(cyclohexylmethoxy)naphthalen-1-yl]thiolan-1-ium;bis(2,2-difluoropropyl adamantane-1-carboxylate);3,3-dimethyl-1-(4-methylphenyl)-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-(4-phenoxyphenyl)butan-1-one;1-(4-methoxynaphthalen-1-yl)thiolan-1-ium;4-(4-propoxynaphthalen-1-yl)-1,4-oxathian-4-ium;2,3,3-trifluorobutyl adamantane-1-carboxylate
CID 157412530
CID 157474036
CID 157474036
4-(4-Butoxy-3,5-dimethylphenyl)-1,4-oxathian-4-ium;4-(4-butoxynaphthalen-1-yl)-1,4-oxathian-4-ium;1-(4-butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;4-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;tris(4-cyclododecylphenyl)sulfanium
CID 157746197
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thian-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;naphthalen-1-yl(diphenyl)sulfanium;naphthalen-2-yl(diphenyl)sulfanium;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 158325695
1-Butyladamantane;cyclododecyl 2-fluoropropyl carbonate;[4-(cyclohexylmethoxy)naphthalen-1-yl]-(oxan-4-yl)sulfanium;1-(3,3-difluorobutyl)adamantane;2,2-difluorobutyl adamantane-1-carboxylate;bis(1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one);bis(1-(3-fluorobutyl)adamantane);1-(4-methoxyphenyl)-3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;(4-methoxyphenyl)-diphenylsulfanium;triphenylsulfanium
CID 158739761
1-[4-[2-(2-Methoxyethoxy)ethoxy]naphthalen-1-yl]thian-1-ium;1-[4-[2-(2-methoxyethoxy)ethoxy]naphthalen-1-yl]thiolan-1-ium;1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;[4-(thian-1-ium-1-yl)naphthalen-1-yl] acetate;[4-(thian-1-ium-1-yl)naphthalen-1-yl] 2-methylpropanoate;[4-(thian-1-ium-1-yl)naphthalen-1-yl] 2,2,2-trifluoroacetate;[4-(thiolan-1-ium-1-yl)naphthalen-1-yl] acetate;[4-(thiolan-1-ium-1-yl)naphthalen-1-yl] 2,2,2-trifluoroacetate
CID 158757442
4-(4-Butoxy-3,5-dimethylphenyl)-1,4-oxathian-4-ium;4-(4-tert-butylphenyl)-1,4-oxathian-4-ium;4-[4-(cyclohexylmethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;3,3-dimethyl-1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)butan-1-one;3,3-dimethyl-2-(1,4-oxathian-4-ium-4-yl)-1-phenylbutan-1-one;diphenyl-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]sulfanium;4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium;1-naphthalen-2-yl-2-(1,4-oxathian-4-ium-4-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone
CID 158816693
1-(4-Butoxynaphthalen-1-yl)thiolan-1-ium;bis(4-[4-(2-methoxyethoxy)naphthalen-1-yl]-1,4-oxathian-4-ium);1-[4-(2-methoxyethoxy)naphthalen-1-yl]thiolan-1-ium;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;1-[4-(2,2,2-trifluoroethoxy)naphthalen-1-yl]thiolan-1-ium
CID 158923492

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one?
The IUPAC name of 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one (CID 158397563) is 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one.
What is the SMILES notation for 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one?
The canonical SMILES for 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one is C.C.CC(C)(C)C(C(=O)c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc1)[S+]1CCCC1.O=C(C[S+]1CCCC1)c1ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc1.O=C1CC[S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)c3ccccc23)CC1.O=C1CC[S+](c2ccc(OCC(O)(C(F)(F)F)C(F)(F)F)cc2)CC1.OC(COc1ccc([S+]2CCCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCC2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCCCC2)cc1)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCOCC2)c2ccccc12)(C(F)(F)F)C(F)(F)F.OC(COc1ccc([S+]2CCOCC2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one?
The InChIKey is GXRVKHXXMUKMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F6O3S.C19H17F6O3S.C19H19F6O2S.C18H17F6O3S.C18H17F6O2S.C16H17F6O3S.C15H15F6O3S.C15H17F6O2S.C14H15F6O3S.C14H15F6O2S.2CH4/c1-17(2,3)16(30-10-4-5-11-30)15(27)13-6-8-14(9-7-13)29-12-18(28,19(21,22)23)20(24,25)26;20-18(21,22)17(27,19(23,24)25)11-28-15-5-6-16(14-4-2-1-3-13(14)15)29-9-7-12(26)8-10-29;20-18(21,22)17(26,19(23,24)25)12-27-15-8-9-16(28-10-4-1-5-11-28)14-7-3-2-6-13(14)15;19-17(20,21)16(25,18(22,23)24)11-27-14-5-6-15(28-9-7-26-8-10-28)13-4-2-1-3-12(13)14;19-17(20,21)16(25,18(22,23)24)11-26-14-7-8-15(27-9-3-4-10-27)13-6-2-1-5-12(13)14;17-15(18,19)14(24,16(20,21)22)10-25-12-5-3-11(4-6-12)13(23)9-26-7-1-2-8-26;16-14(17,18)13(23,15(19,20)21)9-24-11-1-3-12(4-2-11)25-7-5-10(22)6-8-25;16-14(17,18)13(22,15(19,20)21)10-23-11-4-6-12(7-5-11)24-8-2-1-3-9-24;15-13(16,17)12(21,14(18,19)20)9-23-10-1-3-11(4-2-10)24-7-5-22-6-8-24;15-13(16,17)12(21,14(18,19)20)9-22-10-3-5-11(6-4-10)23-7-1-2-8-23;;/h6-9,16,28H,4-5,10-12H2,1-3H3;1-6,27H,7-11H2;2-3,6-9,26H,1,4-5,10-12H2;1-6,25H,7-11H2;1-2,5-8,25H,3-4,9-11H2;3-6,24H,1-2,7-10H2;1-4,23H,5-9H2;4-7,22H,1-3,8-10H2;1-4,21H,5-9H2;3-6,21H,1-2,7-9H2;2*1H4/q10*+1;;.
What are the key properties of 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one?
3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one has a molecular weight of 4101.85 g/mol, XLogP of 42.26, 44 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]butan-1-one;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(1,4-oxathian-4-ium-4-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thian-1-ium-1-yl)phenoxy]methyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)naphthalen-1-yl]oxymethyl]propan-2-ol;1,1,1,3,3,3-hexafluoro-2-[[4-(thiolan-1-ium-1-yl)phenoxy]methyl]propan-2-ol;methane;2-(thiolan-1-ium-1-yl)-1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]ethanone;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]naphthalen-1-yl]thian-1-ium-4-one;1-[4-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]phenyl]thian-1-ium-4-one is sourced from PubChem (CID 158397563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).