2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

C190H296ClF20N17O7S6 — CID 161485090

IUPAC2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(=O)NC1CN(C(C)C)CC=C1C(C)C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1O.CC(C)C1C2CN(C(C)C)CC21.CC(C)C1CCN(C)CC1.CC(C)Cc1ccc(C(C)(C)C)s1.CC(C)Cn1ccc(CC(F)(F)F)n1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1cc2c(s1)COCC2.CC(C)c1ccc(C(C)(F)F)s1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1cnn(C)c1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.Cc1nc(C(C)C)ccc1F
InChIInChI=1S/C13H24N2O.C12H20S.C11H21NO.2C11H21N.C10H11F3O3S.C10H13F.C10H22N2.C10H14OS.C9H10ClF.C9H13F3N2.C9H12F2S.C9H12FN.C9H19N.C9H13N.C8H9F3N2.C8H9F3S.C8H12O.C7H8F3NS.C7H12N2/c1-9(2)12-6-7-15(10(3)4)8-13(12)14-11(5)16;1-9(2)8-10-6-7-11(13-10)12(3,4)5;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-7(2)11-9-5-12(8(3)4)6-10(9)11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)16-17(14,15)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)6-14-4-3-8(13-14)5-9(10,11)12;1-6(2)7-4-5-8(12-7)9(3,10)11;1-6(2)9-5-4-8(10)7(3)11-9;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)8-5-4-7(3)9-8;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-8-9(3)5-7/h6,9-10,13H,7-8H2,1-5H3,(H,14,16);6-7,9H,8H2,1-5H3;5,8-9,11,13H,6-7H2,1-4H3;7-11H,5-6H2,1-4H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;4-7H,1-3H3;9-10H,5-8H2,1-4H3;5,7H,3-4,6H2,1-2H3;3-6H,1-2H3;3-4,7H,5-6H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;8-9H,4-7H2,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-4H,1-2H3;4-6H,1-3H3
InChIKeyWEWICLWOJGMQMM-UHFFFAOYSA-N
MW3538.38 g/mol
LogP54.70
Rot. Bonds32

About 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene

2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (PubChem CID 161485090) has the molecular formula C190H296ClF20N17O7S6 and a molecular weight of 3538.38 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
PubChem CID161485090
Molecular FormulaC190H296ClF20N17O7S6
Molecular Weight3538.38 g/mol
Exact Mass3535.10
IUPAC Name2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene
SMILESCC(=O)NC1CN(C(C)C)CC=C1C(C)C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1O.CC(C)C1C2CN(C(C)C)CC21.CC(C)C1CCN(C)CC1.CC(C)Cc1ccc(C(C)(C)C)s1.CC(C)Cn1ccc(CC(F)(F)F)n1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1cc2c(s1)COCC2.CC(C)c1ccc(C(C)(F)F)s1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1cnn(C)c1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.Cc1nc(C(C)C)ccc1F
InChIInChI=1S/C13H24N2O.C12H20S.C11H21NO.2C11H21N.C10H11F3O3S.C10H13F.C10H22N2.C10H14OS.C9H10ClF.C9H13F3N2.C9H12F2S.C9H12FN.C9H19N.C9H13N.C8H9F3N2.C8H9F3S.C8H12O.C7H8F3NS.C7H12N2/c1-9(2)12-6-7-15(10(3)4)8-13(12)14-11(5)16;1-9(2)8-10-6-7-11(13-10)12(3,4)5;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-7(2)11-9-5-12(8(3)4)6-10(9)11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)16-17(14,15)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)6-14-4-3-8(13-14)5-9(10,11)12;1-6(2)7-4-5-8(12-7)9(3,10)11;1-6(2)9-5-4-8(10)7(3)11-9;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)8-5-4-7(3)9-8;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-8-9(3)5-7/h6,9-10,13H,7-8H2,1-5H3,(H,14,16);6-7,9H,8H2,1-5H3;5,8-9,11,13H,6-7H2,1-4H3;7-11H,5-6H2,1-4H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;4-7H,1-3H3;9-10H,5-8H2,1-4H3;5,7H,3-4,6H2,1-2H3;3-6H,1-2H3;3-4,7H,5-6H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;8-9H,4-7H2,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-4H,1-2H3;4-6H,1-3H3
InChIKeyWEWICLWOJGMQMM-UHFFFAOYSA-N
XLogP54.70
TPSA237.84 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms241
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003538.38
LogP ≤ 554.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Analyze 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The IUPAC name of 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene (CID 161485090) is 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The canonical SMILES for 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is CC(=O)NC1CN(C(C)C)CC=C1C(C)C.CC(C)C1=CCN(C(C)C)CC1.CC(C)C1=CCN(C(C)C)CC1O.CC(C)C1C2CN(C(C)C)CC21.CC(C)C1CCN(C)CC1.CC(C)Cc1ccc(C(C)(C)C)s1.CC(C)Cn1ccc(CC(F)(F)F)n1.CC(C)N1CCN(C(C)C)CC1.CC(C)c1cc2c(s1)COCC2.CC(C)c1ccc(C(C)(F)F)s1.CC(C)c1ccc(C(F)(F)F)s1.CC(C)c1ccc(F)c(Cl)c1.CC(C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1.CC(C)c1cnc(C(F)(F)F)nc1.CC(C)c1cnc(C(F)(F)F)s1.CC(C)c1cnn(C)c1.Cc1ccc(C(C)C)cc1F.Cc1ccc(C(C)C)o1.Cc1cccc(C(C)C)n1.Cc1nc(C(C)C)ccc1F.
What is the InChIKey of 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
The InChIKey is WEWICLWOJGMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C12H20S.C11H21NO.2C11H21N.C10H11F3O3S.C10H13F.C10H22N2.C10H14OS.C9H10ClF.C9H13F3N2.C9H12F2S.C9H12FN.C9H19N.C9H13N.C8H9F3N2.C8H9F3S.C8H12O.C7H8F3NS.C7H12N2/c1-9(2)12-6-7-15(10(3)4)8-13(12)14-11(5)16;1-9(2)8-10-6-7-11(13-10)12(3,4)5;1-8(2)10-5-6-12(9(3)4)7-11(10)13;1-7(2)11-9-5-12(8(3)4)6-10(9)11;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)8-3-5-9(6-4-8)16-17(14,15)10(11,12)13;1-7(2)9-5-4-8(3)10(11)6-9;1-9(2)11-5-7-12(8-6-11)10(3)4;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-6(2)7-3-4-9(11)8(10)5-7;1-7(2)6-14-4-3-8(13-14)5-9(10,11)12;1-6(2)7-4-5-8(12-7)9(3,10)11;1-6(2)9-5-4-8(10)7(3)11-9;1-8(2)9-4-6-10(3)7-5-9;1-7(2)9-6-4-5-8(3)10-9;1-5(2)6-3-12-7(13-4-6)8(9,10)11;1-5(2)6-3-4-7(12-6)8(9,10)11;1-6(2)8-5-4-7(3)9-8;1-4(2)5-3-11-6(12-5)7(8,9)10;1-6(2)7-4-8-9(3)5-7/h6,9-10,13H,7-8H2,1-5H3,(H,14,16);6-7,9H,8H2,1-5H3;5,8-9,11,13H,6-7H2,1-4H3;7-11H,5-6H2,1-4H3;5,9-10H,6-8H2,1-4H3;3-7H,1-2H3;4-7H,1-3H3;9-10H,5-8H2,1-4H3;5,7H,3-4,6H2,1-2H3;3-6H,1-2H3;3-4,7H,5-6H2,1-2H3;4-6H,1-3H3;4-6H,1-3H3;8-9H,4-7H2,1-3H3;4-7H,1-3H3;3-5H,1-2H3;3-5H,1-2H3;4-6H,1-3H3;3-4H,1-2H3;4-6H,1-3H3.
What are the key properties of 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene?
2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene has a molecular weight of 3538.38 g/mol, XLogP of 54.70, 32 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylpropyl)thiophene;2-chloro-1-fluoro-4-propan-2-ylbenzene;2-(1,1-difluoroethyl)-5-propan-2-ylthiophene;3,6-di(propan-2-yl)-3-azabicyclo[3.1.0]hexane;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine;1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-ol;N-[1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridin-3-yl]acetamide;1,4-di(propan-2-yl)piperazine;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-2-methyl-6-propan-2-ylpyridine;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpyrazole;2-methyl-6-propan-2-ylpyridine;1-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)pyrazole;2-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyran;(4-propan-2-ylphenyl) trifluoromethanesulfonate;5-propan-2-yl-2-(trifluoromethyl)pyrimidine;5-propan-2-yl-2-(trifluoromethyl)-1,3-thiazole;2-propan-2-yl-5-(trifluoromethyl)thiophene is sourced from PubChem (CID 161485090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).