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

C28H35F2NO2Si — CID 156894869

IUPAC3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
SMILESC[C@H](Cc1cccc(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=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
InChIKeyAIEICIFQVKORBX-JOCHJYFZSA-N
MW483.68 g/mol
LogP5.12
Rot. Bonds10

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 Name3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
PubChem CID156894869
Molecular FormulaC28H35F2NO2Si
Molecular Weight483.68 g/mol
Exact Mass483.24
IUPAC Name3-[(2R)-2-[[3-[tert-butyl(diphenyl)silyl]oxy-2,2-difluoropropyl]amino]propyl]phenol
SMILESC[C@H](Cc1cccc(O)c1)NCC(F)(F)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=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
InChIKeyAIEICIFQVKORBX-JOCHJYFZSA-N
XLogP5.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).