(2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol

C53H50BrF8N3O2 — CID 161115983

About (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol

(2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 161115983) has the molecular formula C53H50BrF8N3O2 and a molecular weight of 992.89 g/mol. Its IUPAC name is (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
• PubChem CID: 161115983
• Molecular Formula: C53H50BrF8N3O2
• Molecular Weight: 992.89 g/mol
• Exact Mass: 991.30
• IUPAC Name: (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol
• SMILES: Cc1cccc(C2(Cc3cccc(Br)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.Cc1cccc(C2(Cc3cccc(N4CC(F)(F)C4)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1
• InChI: InChI=1S/C28H27F5N2O.C25H23BrF3NO/c1-19-6-4-8-21(12-19)26(14-20-7-5-9-22(13-20)35-17-27(29,30)18-35)16-34(15-25(36)28(31,32)33)24-11-3-2-10-23(24)26;1-17-6-4-8-19(12-17)24(14-18-7-5-9-20(26)13-18)16-30(15-23(31)25(27,28)29)22-11-3-2-10-21(22)24/h2-13,25,36H,14-18H2,1H3;2-13,23,31H,14-16H2,1H3/t25-,26?;23-,24?/m11/s1
• InChIKey: UKIAFZZNSCAXAV-JITLRGLLSA-N
• XLogP: 11.75
• TPSA: 50.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	992.89
LogP ≤ 5	11.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol?

The IUPAC name of (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol (CID 161115983) is (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol.

What is the SMILES notation for (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol?

The canonical SMILES for (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol is Cc1cccc(C2(Cc3cccc(Br)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.Cc1cccc(C2(Cc3cccc(N4CC(F)(F)C4)c3)CN(C[C@@H](O)C(F)(F)F)c3ccccc32)c1.

What is the InChIKey of (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol?

The InChIKey is UKIAFZZNSCAXAV-JITLRGLLSA-N. The full InChI is InChI=1S/C28H27F5N2O.C25H23BrF3NO/c1-19-6-4-8-21(12-19)26(14-20-7-5-9-22(13-20)35-17-27(29,30)18-35)16-34(15-25(36)28(31,32)33)24-11-3-2-10-23(24)26;1-17-6-4-8-19(12-17)24(14-18-7-5-9-20(26)13-18)16-30(15-23(31)25(27,28)29)22-11-3-2-10-21(22)24/h2-13,25,36H,14-18H2,1H3;2-13,23,31H,14-16H2,1H3/t25-,26?;23-,24?/m11/s1.

What are the key properties of (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol?

(2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 992.89 g/mol, XLogP of 11.75, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-[3-[(3-bromophenyl)methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol;(2R)-3-[3-[[3-(3,3-difluoroazetidin-1-yl)phenyl]methyl]-3-(3-methylphenyl)-2H-indol-1-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 161115983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).