2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole

C106H131F11N12O4 — CID 157448832

IUPAC2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
SMILESC.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)n1c(C(C)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2[nH]cc(C(C)C)c2cc1O.Cc1nc2n(C(C)C)c3ccccc3n2n1
InChIInChI=1S/C14H23N3O2.C13H15F2N.2C12H12F3N.C12H14N4.C12H15NO.C11H11F2N.C10H14O.C9H11F.CH4/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)16-11-7-5-4-6-10(11)8-12(16)13(3,14)15;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)10-6-13-11-4-8(3)12(14)5-9(10)11;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;/h6,9-11H,7-8H2,1-5H3;4-9H,1-3H3;3-7,16H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;1H4
InChIKeyBSNYXDWMMODJLR-UHFFFAOYSA-N
MW1846.27 g/mol
LogP30.73
Rot. Bonds14

About 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole

2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole (PubChem CID 157448832) has the molecular formula C106H131F11N12O4 and a molecular weight of 1846.27 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
PubChem CID157448832
Molecular FormulaC106H131F11N12O4
Molecular Weight1846.27 g/mol
Exact Mass1845.02
IUPAC Name2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
SMILESC.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)n1c(C(C)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2[nH]cc(C(C)C)c2cc1O.Cc1nc2n(C(C)C)c3ccccc3n2n1
InChIInChI=1S/C14H23N3O2.C13H15F2N.2C12H12F3N.C12H14N4.C12H15NO.C11H11F2N.C10H14O.C9H11F.CH4/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)16-11-7-5-4-6-10(11)8-12(16)13(3,14)15;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)10-6-13-11-4-8(3)12(14)5-9(10)11;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;/h6,9-11H,7-8H2,1-5H3;4-9H,1-3H3;3-7,16H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;1H4
InChIKeyBSNYXDWMMODJLR-UHFFFAOYSA-N
XLogP30.73
TPSA158.31 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.27
LogP ≤ 530.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole with MolForge

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Related Compounds

3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157177910
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157400906
5-chloro-1-propan-2-ylindole;2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;5,6-dimethyl-2-propan-2-ylindazole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
CID 157577967
5-chloro-1-propan-2-ylindole;2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;5,6-dimethyl-2-propan-2-ylindazole;1,6-dimethyl-3-propan-2-yl-3H-indol-1-ium-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-(3-methoxyazetidin-1-yl)-2-(2-methyl-1-propan-2-ylindol-3-yl)ethanone;1-methoxy-3-propan-2-ylbenzene;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholine;1-propan-2-ylindazol-6-ol;1-propan-2-yl-6-(trifluoromethyl)indole
CID 157662877
5,6-difluoro-1-propan-2-ylindole;[2,5-di(propan-2-yl)-1H-pyrazol-2-ium-3-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;5-fluoro-1-propan-2-ylindole;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;(1-methyl-3-propan-2-ylindol-6-yl)methanamine;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
CID 158016030
(4S)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]pentan-2-one;(4S)-5-(3,5-difluorophenyl)-4-[1-(4-methoxyphenyl)imidazol-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;1-(5-hydroxy-1H-indol-3-yl)-4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-5-phenylpentan-2-one;5-phenyl-4-(3-phenyltriazol-4-yl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158246255
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158559356
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158659207
2-(1,1-Difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;1,6-dimethyl-3-propan-2-ylindol-5-ol;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-methoxy-3-propan-2-ylbenzene;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-methyl-3-propan-2-yl-5-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole
CID 158778725
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(2-methylcyclopropyl)benzamide;4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)benzamide;N-(2,2-difluoroethyl)-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]benzamide;N-ethyl-4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxybenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(1-methylazetidin-3-yl)benzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-propan-2-ylbenzamide;4-[5-[(4-ethyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 158889249
5-chloro-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-ylindazol-6-ol;1-propan-2-yl-2-(trifluoromethyl)indole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole
CID 159592086
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]pentan-2-one;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,7-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methyl-5-phenylmethoxy-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-propan-2-ylimidazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160065070

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole (CID 157448832) is 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole is C.CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)n1c(C(C)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.COC1CN(C(=O)c2cc(C(C)C)nn2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2[nH]cc(C(C)C)c2cc1O.Cc1nc2n(C(C)C)c3ccccc3n2n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?
The InChIKey is BSNYXDWMMODJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2.C13H15F2N.2C12H12F3N.C12H14N4.C12H15NO.C11H11F2N.C10H14O.C9H11F.CH4/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)16-11-7-5-4-6-10(11)8-12(16)13(3,14)15;1-7(2)10-6-16-11-4-3-8(5-9(10)11)12(13,14)15;1-8(2)16-6-5-9-3-4-10(7-11(9)16)12(13,14)15;1-8(2)15-10-6-4-5-7-11(10)16-12(15)13-9(3)14-16;1-7(2)10-6-13-11-4-8(3)12(14)5-9(10)11;1-7(2)14-4-3-8-5-9(12)10(13)6-11(8)14;1-8(2)9-5-4-6-10(7-9)11-3;1-7(2)8-3-5-9(10)6-4-8;/h6,9-11H,7-8H2,1-5H3;4-9H,1-3H3;3-7,16H,1-2H3;3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-7H,1-2H3;4-8H,1-3H3;3-7H,1-2H3;1H4.
What are the key properties of 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole?
2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole has a molecular weight of 1846.27 g/mol, XLogP of 30.73, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-1-propan-2-ylindole;5,6-difluoro-1-propan-2-ylindole;[1,3-di(propan-2-yl)pyrazol-5-yl]-(3-methoxyazetidin-1-yl)methanone;1-fluoro-4-propan-2-ylbenzene;methane;1-methoxy-3-propan-2-ylbenzene;6-methyl-3-propan-2-yl-1H-indol-5-ol;2-methyl-4-propan-2-yl-[1,2,4]triazolo[1,5-a]benzimidazole;1-propan-2-yl-6-(trifluoromethyl)indole;3-propan-2-yl-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 157448832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).