N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide

C17H26F3NO3Si — CID 134884413

IUPACN-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C17H26F3NO3Si/c1-16(2,3)25(4,5)24-14(12-9-7-6-8-10-12)13(11-22)21-15(23)17(18,19)20/h6-10,13-14,22H,11H2,1-5H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyQMVLUHOXDXWGAL-KBPBESRZSA-N
MW377.48 g/mol
LogP3.79
Rot. Bonds6

About N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide

N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 134884413) has the molecular formula C17H26F3NO3Si and a molecular weight of 377.48 g/mol. Its IUPAC name is N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID134884413
Molecular FormulaC17H26F3NO3Si
Molecular Weight377.48 g/mol
Exact Mass377.16
IUPAC NameN-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](CO)NC(=O)C(F)(F)F
InChIInChI=1S/C17H26F3NO3Si/c1-16(2,3)25(4,5)24-14(12-9-7-6-8-10-12)13(11-22)21-15(23)17(18,19)20/h6-10,13-14,22H,11H2,1-5H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyQMVLUHOXDXWGAL-KBPBESRZSA-N
XLogP3.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.79
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 N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide (CID 134884413) is N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide is CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1)[C@H](CO)NC(=O)C(F)(F)F.
What is the InChIKey of N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is QMVLUHOXDXWGAL-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26F3NO3Si/c1-16(2,3)25(4,5)24-14(12-9-7-6-8-10-12)13(11-22)21-15(23)17(18,19)20/h6-10,13-14,22H,11H2,1-5H3,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide?
N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 377.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134884413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).