1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

C110H110Br5F15N10O — CID 158806758

About 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole

1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 158806758) has the molecular formula C110H110Br5F15N10O and a molecular weight of 2272.65 g/mol. Its IUPAC name is 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• PubChem CID: 158806758
• Molecular Formula: C110H110Br5F15N10O
• Molecular Weight: 2272.65 g/mol
• Exact Mass: 2266.45
• IUPAC Name: 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
• SMILES: CC1Cc2c([nH]c3ccccc23)C(c2c(F)cc(Br)cc2F)N1CC(C)(F)CO.CCC(F)(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1c(F)cc(Br)cc1F.CCC(F)(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1ccc(Br)cc1.CCC(F)(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1ccc(Br)cc1F.CCC(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1c(F)cc(Br)cc1F
• InChI: InChI=1S/C22H21BrF4N2.C22H22BrF3N2O.2C22H22BrF3N2.C22H23BrF2N2/c1-3-22(26,27)11-29-12(2)8-15-14-6-4-5-7-18(14)28-20(15)21(29)19-16(24)9-13(23)10-17(19)25;1-12-7-15-14-5-3-4-6-18(14)27-20(15)21(28(12)10-22(2,26)11-29)19-16(24)8-13(23)9-17(19)25;1-3-14(24)11-28-12(2)8-16-15-6-4-5-7-19(15)27-21(16)22(28)20-17(25)9-13(23)10-18(20)26;1-3-22(25,26)12-28-13(2)10-17-15-6-4-5-7-19(15)27-20(17)21(28)16-9-8-14(23)11-18(16)24;1-3-22(24,25)13-27-14(2)12-18-17-6-4-5-7-19(17)26-20(18)21(27)15-8-10-16(23)11-9-15/h4-7,9-10,12,21,28H,3,8,11H2,1-2H3;3-6,8-9,12,21,27,29H,7,10-11H2,1-2H3;4-7,9-10,12,14,22,27H,3,8,11H2,1-2H3;4-9,11,13,21,27H,3,10,12H2,1-2H3;4-11,14,21,26H,3,12-13H2,1-2H3
• InChIKey: IUEBDWUANRNLBD-UHFFFAOYSA-N
• XLogP: 30.91
• TPSA: 115.38 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2272.65
LogP ≤ 5	30.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The IUPAC name of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole (CID 158806758) is 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole.

What is the SMILES notation for 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The canonical SMILES for 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is CC1Cc2c([nH]c3ccccc23)C(c2c(F)cc(Br)cc2F)N1CC(C)(F)CO.CCC(F)(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1c(F)cc(Br)cc1F.CCC(F)(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1ccc(Br)cc1.CCC(F)(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1ccc(Br)cc1F.CCC(F)CN1C(C)Cc2c([nH]c3ccccc23)C1c1c(F)cc(Br)cc1F.

What is the InChIKey of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

The InChIKey is IUEBDWUANRNLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrF4N2.C22H22BrF3N2O.2C22H22BrF3N2.C22H23BrF2N2/c1-3-22(26,27)11-29-12(2)8-15-14-6-4-5-7-18(14)28-20(15)21(29)19-16(24)9-13(23)10-17(19)25;1-12-7-15-14-5-3-4-6-18(14)27-20(15)21(28(12)10-22(2,26)11-29)19-16(24)8-13(23)9-17(19)25;1-3-14(24)11-28-12(2)8-16-15-6-4-5-7-19(15)27-21(16)22(28)20-17(25)9-13(23)10-18(20)26;1-3-22(25,26)12-28-13(2)10-17-15-6-4-5-7-19(15)27-20(17)21(28)16-9-8-14(23)11-18(16)24;1-3-22(24,25)13-27-14(2)12-18-17-6-4-5-7-19(17)26-20(18)21(27)15-8-10-16(23)11-9-15/h4-7,9-10,12,21,28H,3,8,11H2,1-2H3;3-6,8-9,12,21,27,29H,7,10-11H2,1-2H3;4-7,9-10,12,14,22,27H,3,8,11H2,1-2H3;4-9,11,13,21,27H,3,10,12H2,1-2H3;4-11,14,21,26H,3,12-13H2,1-2H3.

What are the key properties of 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole?

1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 2272.65 g/mol, XLogP of 30.91, 20 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-bromo-2,6-difluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromo-2,6-difluorophenyl)-2-(2-fluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;3-[1-(4-bromo-2,6-difluorophenyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-2-fluoro-2-methylpropan-1-ol;1-(4-bromo-2-fluorophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(4-bromophenyl)-2-(2,2-difluorobutyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 158806758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).