3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol

C28H35F2NO2Si — CID 156894869

About 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol

3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol (PubChem CID 156894869) has the molecular formula C28H35F2NO2Si and a molecular weight of 483.68 g/mol. Its IUPAC name is 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol.

Molecular Properties

• Compound Name: 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
• PubChem CID: 156894869
• Molecular Formula: C28H35F2NO2Si
• Molecular Weight: 483.68 g/mol
• Exact Mass: 483.24
• IUPAC Name: 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
• SMILES: C[C@H](Cc1cccc(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C28H35F2NO2Si/c1-22(18-23-12-11-13-24(32)19-23)31-20-28(29,30)21-33-34(27(2,3)4,25-14-7-5-8-15-25)26-16-9-6-10-17-26/h5-17,19,22,31-32H,18,20-21H2,1-4H3/t22-/m1/s1
• InChIKey: AIEICIFQVKORBX-JOCHJYFZSA-N
• XLogP: 5.12
• TPSA: 41.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.68
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol?

The IUPAC name of 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol (CID 156894869) is 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol.

What is the SMILES notation for 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol?

The canonical SMILES for 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol is C[C@H](Cc1cccc(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol?

The InChIKey is AIEICIFQVKORBX-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H35F2NO2Si/c1-22(18-23-12-11-13-24(32)19-23)31-20-28(29,30)21-33-34(27(2,3)4,25-14-7-5-8-15-25)26-16-9-6-10-17-26/h5-17,19,22,31-32H,18,20-21H2,1-4H3/t22-/m1/s1.

What are the key properties of 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol?

3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol has a molecular weight of 483.68 g/mol, XLogP of 5.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol is sourced from PubChem (CID 156894869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).