4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole

C142H178Cl4F11N15O3S2 — CID 157351327

IUPAC4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(Cl)cc(Cl)n1.CC(C)c1cc(Cl)ccc1C(C)(F)F.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1cnn2C.CC(C)c1ccccc1S(C)=O.CC(C)c1cn2ncccc2n1.CC(C)c1ncc(Cl)cc1C(C)(F)F.CCc1ccc(C(C)C)nc1.COc1ccc(C)c(C(C)C)n1.COc1cccc(F)c1C(C)C.Cc1cc(-n2cncn2)ccc1C(C)C.Cc1cc(C(F)(F)F)cnc1C(C)C.Cc1cc(F)ccc1C(C)(F)F.Cc1ccc2scc(C(C)C)c2c1
InChIInChI=1S/C12H15N3.C12H14S.C11H13ClF2.C11H14N2.C10H12ClF2N.C10H12F3N.C10H13FO.C10H12N2.C10H15NO.C10H15N.C10H14OS.C9H9F3.C9H11N3.C8H9Cl2N/c1-9(2)12-5-4-11(6-10(12)3)15-8-13-7-14-15;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-7(2)9-6-8(12)4-5-10(9)11(3,13)14;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-6(2)9-8(10(3,12)13)4-7(11)5-14-9;1-6(2)9-7(3)4-8(5-14-9)10(11,12)13;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)10-8(3)5-6-9(11-10)12-4;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-6-4-5-7-10(9)12(3)11;1-6-5-7(10)3-4-8(6)9(2,11)12;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-5(2)7-3-6(9)4-8(10)11-7/h4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3
InChIKeyBHOKDXOSFZRMRH-UHFFFAOYSA-N
MW2558.01 g/mol
LogP43.90
Rot. Bonds21

About 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole

4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole (PubChem CID 157351327) has the molecular formula C142H178Cl4F11N15O3S2 and a molecular weight of 2558.01 g/mol. Its IUPAC name is 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole.

Molecular Properties

Compound Name4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole
PubChem CID157351327
Molecular FormulaC142H178Cl4F11N15O3S2
Molecular Weight2558.01 g/mol
Exact Mass2554.23
IUPAC Name4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole
SMILESCC(C)c1cc(Cl)cc(Cl)n1.CC(C)c1cc(Cl)ccc1C(C)(F)F.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1cnn2C.CC(C)c1ccccc1S(C)=O.CC(C)c1cn2ncccc2n1.CC(C)c1ncc(Cl)cc1C(C)(F)F.CCc1ccc(C(C)C)nc1.COc1ccc(C)c(C(C)C)n1.COc1cccc(F)c1C(C)C.Cc1cc(-n2cncn2)ccc1C(C)C.Cc1cc(C(F)(F)F)cnc1C(C)C.Cc1cc(F)ccc1C(C)(F)F.Cc1ccc2scc(C(C)C)c2c1
InChIInChI=1S/C12H15N3.C12H14S.C11H13ClF2.C11H14N2.C10H12ClF2N.C10H12F3N.C10H13FO.C10H12N2.C10H15NO.C10H15N.C10H14OS.C9H9F3.C9H11N3.C8H9Cl2N/c1-9(2)12-5-4-11(6-10(12)3)15-8-13-7-14-15;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-7(2)9-6-8(12)4-5-10(9)11(3,13)14;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-6(2)9-8(10(3,12)13)4-7(11)5-14-9;1-6(2)9-7(3)4-8(5-14-9)10(11,12)13;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)10-8(3)5-6-9(11-10)12-4;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-6-4-5-7-10(9)12(3)11;1-6-5-7(10)3-4-8(6)9(2,11)12;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-5(2)7-3-6(9)4-8(10)11-7/h4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3
InChIKeyBHOKDXOSFZRMRH-UHFFFAOYSA-N
XLogP43.90
TPSA207.38 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002558.01
LogP ≤ 543.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-1,2-dimethylbenzene;5-chloro-1-fluoro-2,3-dimethylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;1,2-difluoro-4-methylbenzene;1,4-difluoro-2-methylbenzene;3,5-difluoro-2-methylpyridine;2,5-dimethyl-1,3-oxazole;3,6-dimethylpyridazine;4,5-dimethylpyrimidine;bis(4-fluoro-1,2-dimethylbenzene);1-fluoro-5-isocyano-2,3-dimethylbenzene;bis(1-fluoro-4-methylbenzene);bis(5-fluoro-2-methylpyridine);4-isocyano-1,2-dimethylbenzene;2-isocyano-5-methylpyridine;5-isocyano-2-methylpyridine;methane;1-methoxy-4-methylbenzene;methylcyclopropane;5-methyl-1H-indazole;6-methyl-1H-indazole;2-methyl-4-phenylpyrimidine;2-methylthiophene;2-methyl-4-(trifluoromethyl)thiophene;1,2,4-trifluoro-5-methylbenzene;bis(1,2,4-trimethylbenzene);bis(1,4-xylene)
CID 157608450
3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-chlorophenyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2,4-difluorophenyl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 158661799
3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;3-(3-chlorophenyl)-4-(5-chlorothiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-ethoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-fluoro-2-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine;4-(5-chlorothiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-(5-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 159047700
CID 160274858
CID 160274858
5-bromo-3-propan-2-yl-1-benzothiophene;4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1,4-dimethyl-2-propan-2-ylbenzene;1-fluoro-2-methyl-3-propan-2-ylbenzene;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;methane;2-methoxy-4-methyl-1-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylindazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole;2-propan-2-ylquinoline
CID 160364396
1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;4-chloro-2-propan-2-yl-1-(trifluoromethyl)benzene;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;5-chloro-2-propan-2-yl-3-(trifluoromethyl)pyridine;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;3-fluoro-6-methoxy-2-propan-2-ylpyridine;4-fluoro-2-methyl-1-(trifluoromethyl)benzene;1-methylsulfinyl-2-propan-2-ylbenzene;4-propan-2-yl-1H-indazole
CID 160829166
3-(2-chloro-3-fluorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(2,4-difluorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(2-ethoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(2-fluorophenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(2-methoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-(4-methoxyphenyl)-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[4-(4-methylpiperazin-1-yl)phenyl]-4-thiophen-3-yl-2H-pyrazolo[3,4-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine
CID 161671546
5-Chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;6-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;7-chloro-3-methyl-8-propan-2-ylquinoline;1-(3-chloro-4-propan-2-ylphenyl)-1,2,4-triazole;5-chloro-2-propan-2-ylpyridine;3-chloro-2-propan-2-yl-5-(trifluoromethyl)pyridine;2,4-dichloro-6-propan-2-ylpyridine;1-fluoro-2-methyl-3-propan-2-ylbenzene;2-methoxy-4-methyl-1-propan-2-ylbenzene;2-methoxy-1-propan-2-ylnaphthalene;2-methoxy-3-propan-2-ylnaphthalene;methyl-methylidene-(2-propan-2-ylphenyl)-lambda4-sulfane;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-ylquinoline
CID 162107091
3-chloro-2-propan-2-ylthiophene;2,5-dichloro-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;3,5-difluoro-2-propan-2-ylpyridine;2,4-dimethyl-1-propan-2-ylbenzene;5,7-dimethyl-2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;2-fluoro-1,3-dimethyl-5-propan-2-ylbenzene;1-fluoro-2-methyl-4-propan-2-ylbenzene;5-fluoro-3-propan-2-yl-2H-indazole;methane;1-methoxy-2-methyl-3-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-2-propan-2-ylimidazole;5-methyl-3-propan-2-ylpyridin-2-amine;2-methyl-3-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;3-methyl-4-propan-2-ylpyridine;1-methyl-2-propan-2-ylpyrrole;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine;4-propan-2-yl-3-(trifluoromethyl)pyridine
CID 162269176
4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;5-methyl-7-methylidene-2-propan-2-yl-4H-[1,2,4]triazolo[1,5-a]pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazine;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 162277779
CID 162280858
CID 162280858
4-chloro-1-methyl-2-propan-2-ylbenzene;2-chloro-5-methyl-4-propan-2-ylpyridine;1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;2,5-dimethyl-3-propan-2-ylpyridine;1,5-dimethyl-4-propan-2-yltriazole;1-fluoro-2-methyl-4-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;5-fluoro-3-methyl-2-propan-2-ylpyridine;1-(methoxymethyl)-4-propan-2-ylbenzene;4-methyl-2,5-di(propan-2-yl)pyrimidine;1-methyl-3-(2-methylpropyl)-5-propan-2-ylpyrazole;5-methyl-3-propan-2-yl-2H-indazole;1-methyl-4-propan-2-ylindole;1-methyl-6-propan-2-ylindole;3-methyl-5-propan-2-yl-1-propylpyrazole;4-methyl-5-propan-2-ylpyrimidine;2-phenyl-5-propan-2-yl-1H-imidazole;2-propan-2-ylpyrazolo[1,5-a]pyridine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 162281458

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole?
The IUPAC name of 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole (CID 157351327) is 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole.
What is the SMILES notation for 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole?
The canonical SMILES for 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole is CC(C)c1cc(Cl)cc(Cl)n1.CC(C)c1cc(Cl)ccc1C(C)(F)F.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccc2c1cnn2C.CC(C)c1ccccc1S(C)=O.CC(C)c1cn2ncccc2n1.CC(C)c1ncc(Cl)cc1C(C)(F)F.CCc1ccc(C(C)C)nc1.COc1ccc(C)c(C(C)C)n1.COc1cccc(F)c1C(C)C.Cc1cc(-n2cncn2)ccc1C(C)C.Cc1cc(C(F)(F)F)cnc1C(C)C.Cc1cc(F)ccc1C(C)(F)F.Cc1ccc2scc(C(C)C)c2c1.
What is the InChIKey of 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole?
The InChIKey is BHOKDXOSFZRMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.C12H14S.C11H13ClF2.C11H14N2.C10H12ClF2N.C10H12F3N.C10H13FO.C10H12N2.C10H15NO.C10H15N.C10H14OS.C9H9F3.C9H11N3.C8H9Cl2N/c1-9(2)12-5-4-11(6-10(12)3)15-8-13-7-14-15;1-8(2)11-7-13-12-5-4-9(3)6-10(11)12;1-7(2)9-6-8(12)4-5-10(9)11(3,13)14;1-8(2)9-5-4-6-11-10(9)7-12-13(11)3;1-6(2)9-8(10(3,12)13)4-7(11)5-14-9;1-6(2)9-7(3)4-8(5-14-9)10(11,12)13;1-7(2)10-8(11)5-4-6-9(10)12-3;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-7(2)10-8(3)5-6-9(11-10)12-4;1-4-9-5-6-10(8(2)3)11-7-9;1-8(2)9-6-4-5-7-10(9)12(3)11;1-6-5-7(10)3-4-8(6)9(2,11)12;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-5(2)7-3-6(9)4-8(10)11-7/h4-9H,1-3H3;4-8H,1-3H3;4-7H,1-3H3;4-8H,1-3H3;2*4-6H,1-3H3;4-7H,1-3H3;3-7H,1-2H3,(H,11,12);5-7H,1-4H3;5-8H,4H2,1-3H3;4-8H,1-3H3;3-5H,1-2H3;3-7H,1-2H3;3-5H,1-2H3.
What are the key properties of 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole?
4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole has a molecular weight of 2558.01 g/mol, XLogP of 43.90, 21 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,1-difluoroethyl)-2-propan-2-ylbenzene;5-chloro-3-(1,1-difluoroethyl)-2-propan-2-ylpyridine;2,4-dichloro-6-propan-2-ylpyridine;1-(1,1-difluoroethyl)-4-fluoro-2-methylbenzene;5-ethyl-2-propan-2-ylpyridine;1-fluoro-3-methoxy-2-propan-2-ylbenzene;6-methoxy-3-methyl-2-propan-2-ylpyridine;5-methyl-3-propan-2-yl-1-benzothiophene;1-methyl-4-propan-2-ylindazole;1-(3-methyl-4-propan-2-ylphenyl)-1,2,4-triazole;3-methyl-2-propan-2-yl-5-(trifluoromethyl)pyridine;1-methylsulfinyl-2-propan-2-ylbenzene;2-propan-2-ylimidazo[1,2-b]pyridazine;4-propan-2-yl-1H-indazole is sourced from PubChem (CID 157351327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).