2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide

C13H18F3NO2Si — CID 6428499

IUPAC2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide
SMILESC[Si](C)(C)OC(CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3NO2Si/c1-20(2,3)19-11(10-7-5-4-6-8-10)9-17-12(18)13(14,15)16/h4-8,11H,9H2,1-3H3,(H,17,18)
InChIKeyAJLWQAOZKRRGQI-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.26
Rot. Bonds5

About 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide

2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide (PubChem CID 6428499) has the molecular formula C13H18F3NO2Si and a molecular weight of 305.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide
PubChem CID6428499
Molecular FormulaC13H18F3NO2Si
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide
SMILESC[Si](C)(C)OC(CNC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H18F3NO2Si/c1-20(2,3)19-11(10-7-5-4-6-8-10)9-17-12(18)13(14,15)16/h4-8,11H,9H2,1-3H3,(H,17,18)
InChIKeyAJLWQAOZKRRGQI-UHFFFAOYSA-N
XLogP3.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2S)-1-{[tert-Butyl(dimethyl)silyl]oxy}-N-methyl-1-phenylpropan-2-amine
CID 14572256
Benzeneacetamide, N-methyl-alpha-((trimethylsilyl)oxy)-
CID 3073653
2,2,2-trifluoro-N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 22769513
N-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]acetamide
CID 44271058
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-methylbutanamide
CID 72002743
N-[(1R,2R)-1-[(3S)-2,2-dimethylhex-5-en-3-yl]oxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 10861242
2,2,2-trifluoro-N-[(1R,2R)-1-[(2R)-pent-4-en-2-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 15737560
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-[(1S)-1-phenylbut-3-enoxy]propan-2-yl]acetamide
CID 15737566
2,2,2-trifluoro-N-[(1R,2R)-1-[(4R)-non-1-en-4-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 101946841
2,2,2-trifluoro-N-(2-hydroxy-2-phenylethyl)acetamide
CID 11117946
N-(2-hydroxy-2-phenylethyl)acetamide
CID 270963

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide (CID 6428499) is 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide is C[Si](C)(C)OC(CNC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide?
The InChIKey is AJLWQAOZKRRGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2Si/c1-20(2,3)19-11(10-7-5-4-6-8-10)9-17-12(18)13(14,15)16/h4-8,11H,9H2,1-3H3,(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide?
2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide has a molecular weight of 305.37 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(2-phenyl-2-trimethylsilyloxyethyl)acetamide is sourced from PubChem (CID 6428499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).