tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide

C30H36F3N2OSi- — CID 162617200

About tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide

tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide (PubChem CID 162617200) has the molecular formula C30H36F3N2OSi- and a molecular weight of 525.71 g/mol. Its IUPAC name is tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide.

Molecular Properties

• Compound Name: tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide
• PubChem CID: 162617200
• Molecular Formula: C30H36F3N2OSi-
• Molecular Weight: 525.71 g/mol
• Exact Mass: 525.26
• IUPAC Name: tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide
• SMILES: C[C@H](Cc1c[nH]c2ccc(F)cc12)NCC(F)(F)CO[SiH-](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C30H36F3N2OSi/c1-22(17-23-19-34-28-16-15-24(31)18-27(23)28)35-20-30(32,33)21-36-37(29(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,18-19,22,34-35,37H,17,20-21H2,1-4H3/q-1/t22-/m1/s1
• InChIKey: FZOHSKDCWQMIEK-JOCHJYFZSA-N
• XLogP: 5.77
• TPSA: 37.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.71
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide?

The IUPAC name of tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide (CID 162617200) is tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide.

What is the SMILES notation for tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide?

The canonical SMILES for tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide is C[C@H](Cc1c[nH]c2ccc(F)cc12)NCC(F)(F)CO[SiH-](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide?

The InChIKey is FZOHSKDCWQMIEK-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H36F3N2OSi/c1-22(17-23-19-34-28-16-15-24(31)18-27(23)28)35-20-30(32,33)21-36-37(29(2,3)4,25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-16,18-19,22,34-35,37H,17,20-21H2,1-4H3/q-1/t22-/m1/s1.

What are the key properties of tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide?

tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide has a molecular weight of 525.71 g/mol, XLogP of 5.77, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2,2-difluoro-3-[[(2R)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]amino]propoxy]-diphenylsilanuide is sourced from PubChem (CID 162617200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).