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

C138H167F13N17O5+ — CID 158016030

About 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

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 (PubChem CID 158016030) has the molecular formula C138H167F13N17O5+ and a molecular weight of 2390.94 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158016030
• Molecular Formula: C138H167F13N17O5+
• Molecular Weight: 2390.94 g/mol
• Exact Mass: 2389.31
• IUPAC Name: 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
• SMILES: CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)c1cn(C)c2cc(CN)ccc12.CC(C)n1c(C(F)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2cc(F)ccc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)[nH][n+]2C(C)C)C1.COc1cccc(C(C)C)c1.Cc1cc2[nH]cc(C(C)C)c2cc1O.Cc1nc2n(C(C)C)c3ccccc3n2n1
• InChI: InChI=1S/C14H23N3O2.C13H18N2.3C12H12F3N.C12H14N4.C12H15NO.C11H11F2N.C11H12FN.C10H12N2O.C10H14O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;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)16-10-6-4-3-5-9(10)7-11(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)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;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;4-6,8-9H,7,14H2,1-3H3;3-7,16H,1-2H3;2*3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;3-7,13H,1-2H3;4-8H,1-3H3;3-7H,1-2H3/p+1
• InChIKey: CGPAUMXKVPXXLV-UHFFFAOYSA-O
• XLogP: 37.86
• TPSA: 234.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 17
• Rotatable Bonds: 17
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2390.94
LogP ≤ 5	37.86
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC(C)c1c[nH]c2ccc(C(F)(F)F)cc12.CC(C)c1ccc(F)cc1.CC(C)c1cn(C)c2cc(CN)ccc12.CC(C)n1c(C(F)(F)F)cc2ccccc21.CC(C)n1ccc2cc(F)c(F)cc21.CC(C)n1ccc2cc(F)ccc21.CC(C)n1ccc2ccc(C(F)(F)F)cc21.CC(C)n1ncc2ccc(O)cc21.COC1CN(C(=O)c2cc(C(C)C)[nH][n+]2C(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 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?

The InChIKey is CGPAUMXKVPXXLV-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H23N3O2.C13H18N2.3C12H12F3N.C12H14N4.C12H15NO.C11H11F2N.C11H12FN.C10H12N2O.C10H14O.C9H11F/c1-9(2)12-6-13(17(15-12)10(3)4)14(18)16-7-11(8-16)19-5;1-9(2)12-8-15(3)13-6-10(7-14)4-5-11(12)13;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)16-10-6-4-3-5-9(10)7-11(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)13-6-5-9-7-10(12)3-4-11(9)13;1-7(2)12-10-5-9(13)4-3-8(10)6-11-12;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;4-6,8-9H,7,14H2,1-3H3;3-7,16H,1-2H3;2*3-8H,1-2H3;4-8H,1-3H3;4-7,13-14H,1-3H3;3-7H,1-2H3;3-8H,1-2H3;3-7,13H,1-2H3;4-8H,1-3H3;3-7H,1-2H3/p+1.

What are the key properties of 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?

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 has a molecular weight of 2390.94 g/mol, XLogP of 37.86, 17 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158016030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).