2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate

C76H85F13N6O15 — CID 158438239

About 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate

2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate (PubChem CID 158438239) has the molecular formula C76H85F13N6O15 and a molecular weight of 1569.52 g/mol. Its IUPAC name is 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate.

Molecular Properties

• Compound Name: 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate
• PubChem CID: 158438239
• Molecular Formula: C76H85F13N6O15
• Molecular Weight: 1569.52 g/mol
• Exact Mass: 1568.59
• IUPAC Name: 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate
• SMILES: COC(=O)C(C)c1c(C)n(C)c2cc(C(F)(F)F)c(OC)cc12.COC(=O)C(CCN(C)C)c1c(C)n(C)c2cc(C(F)(F)F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)n(C)c2cc1C(F)(F)F.COc1cc2c(CC(=O)O)c(C)n(C)c2cc1F.COc1ccc2c(c(CC(=O)O)c(C)n2C)c1C(F)(F)F
• InChI: InChI=1S/C19H25F3N2O3.C16H18F3NO3.2C14H14F3NO3.C13H14FNO3/c1-11-17(12(18(25)27-6)7-8-23(2)3)13-9-16(26-5)14(19(20,21)22)10-15(13)24(11)4;1-8(15(21)23-5)14-9(2)20(3)12-7-11(16(17,18)19)13(22-4)6-10(12)14;1-7-8(5-13(19)20)9-4-12(21-3)10(14(15,16)17)6-11(9)18(7)2;1-7-8(6-11(19)20)12-9(18(7)2)4-5-10(21-3)13(12)14(15,16)17;1-7-8(5-13(16)17)9-4-12(18-3)10(14)6-11(9)15(7)2/h9-10,12H,7-8H2,1-6H3;6-8H,1-5H3;4,6H,5H2,1-3H3,(H,19,20);4-5H,6H2,1-3H3,(H,19,20);4,6H,5H2,1-3H3,(H,16,17)
• InChIKey: HCMMFPYFWYBTMK-UHFFFAOYSA-N
• XLogP: 16.06
• TPSA: 238.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1569.52
LogP ≤ 5	16.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate?

The IUPAC name of 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate (CID 158438239) is 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate.

What is the SMILES notation for 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate?

The canonical SMILES for 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate is COC(=O)C(C)c1c(C)n(C)c2cc(C(F)(F)F)c(OC)cc12.COC(=O)C(CCN(C)C)c1c(C)n(C)c2cc(C(F)(F)F)c(OC)cc12.COc1cc2c(CC(=O)O)c(C)n(C)c2cc1C(F)(F)F.COc1cc2c(CC(=O)O)c(C)n(C)c2cc1F.COc1ccc2c(c(CC(=O)O)c(C)n2C)c1C(F)(F)F.

What is the InChIKey of 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate?

The InChIKey is HCMMFPYFWYBTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O3.C16H18F3NO3.2C14H14F3NO3.C13H14FNO3/c1-11-17(12(18(25)27-6)7-8-23(2)3)13-9-16(26-5)14(19(20,21)22)10-15(13)24(11)4;1-8(15(21)23-5)14-9(2)20(3)12-7-11(16(17,18)19)13(22-4)6-10(12)14;1-7-8(5-13(19)20)9-4-12(21-3)10(14(15,16)17)6-11(9)18(7)2;1-7-8(6-11(19)20)12-9(18(7)2)4-5-10(21-3)13(12)14(15,16)17;1-7-8(5-13(16)17)9-4-12(18-3)10(14)6-11(9)15(7)2/h9-10,12H,7-8H2,1-6H3;6-8H,1-5H3;4,6H,5H2,1-3H3,(H,19,20);4-5H,6H2,1-3H3,(H,19,20);4,6H,5H2,1-3H3,(H,16,17).

What are the key properties of 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate?

2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate has a molecular weight of 1569.52 g/mol, XLogP of 16.06, 18 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-5-methoxy-1,2-dimethylindol-3-yl)acetic acid;2-[5-methoxy-1,2-dimethyl-4-(trifluoromethyl)indol-3-yl]acetic acid;2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]acetic acid;methyl 4-(dimethylamino)-2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]butanoate;methyl 2-[5-methoxy-1,2-dimethyl-6-(trifluoromethyl)indol-3-yl]propanoate is sourced from PubChem (CID 158438239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).