5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole

C29H26F2N2 — CID 160699866

About 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole

5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole (PubChem CID 160699866) has the molecular formula C29H26F2N2 and a molecular weight of 440.54 g/mol. Its IUPAC name is 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole.

Molecular Properties

• Compound Name: 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
• PubChem CID: 160699866
• Molecular Formula: C29H26F2N2
• Molecular Weight: 440.54 g/mol
• Exact Mass: 440.21
• IUPAC Name: 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole
• SMILES: Cc1ccc2c(c1)C(F)(F)c1cc(-c3ccc4c(c3)CC([C@@H]3[C@H]5CC[C@H](C5)N3C)=N4)ccc1-2
• InChI: InChI=1S/C29H26F2N2/c1-16-3-8-22-23-9-5-18(14-25(23)29(30,31)24(22)11-16)17-6-10-26-20(12-17)15-27(32-26)28-19-4-7-21(13-19)33(28)2/h3,5-6,8-12,14,19,21,28H,4,7,13,15H2,1-2H3/t19-,21+,28-/m0/s1
• InChIKey: RQMBDELPRDUWOI-AXTPWFNZSA-N
• XLogP: 6.89
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.54
LogP ≤ 5	6.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

The IUPAC name of 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole (CID 160699866) is 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole.

What is the SMILES notation for 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

The canonical SMILES for 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole is Cc1ccc2c(c1)C(F)(F)c1cc(-c3ccc4c(c3)CC([C@@H]3[C@H]5CC[C@H](C5)N3C)=N4)ccc1-2.

What is the InChIKey of 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

The InChIKey is RQMBDELPRDUWOI-AXTPWFNZSA-N. The full InChI is InChI=1S/C29H26F2N2/c1-16-3-8-22-23-9-5-18(14-25(23)29(30,31)24(22)11-16)17-6-10-26-20(12-17)15-27(32-26)28-19-4-7-21(13-19)33(28)2/h3,5-6,8-12,14,19,21,28H,4,7,13,15H2,1-2H3/t19-,21+,28-/m0/s1.

What are the key properties of 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole?

5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole has a molecular weight of 440.54 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(9,9-difluoro-7-methylfluoren-2-yl)-2-[(1R,3S,4S)-2-methyl-2-azabicyclo[2.2.1]heptan-3-yl]-3H-indole is sourced from PubChem (CID 160699866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).