2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide

C14H20F3NO2Si — CID 11771549

IUPAC2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)[C@@H](O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)12(20-21(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3,(H,18,19)/t10-,12+/m0/s1
InChIKeyJFKPUFHQKOLHQD-CMPLNLGQSA-N
MW319.40 g/mol
LogP3.65
Rot. Bonds5

About 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide

2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide (PubChem CID 11771549) has the molecular formula C14H20F3NO2Si and a molecular weight of 319.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
PubChem CID11771549
Molecular FormulaC14H20F3NO2Si
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)[C@@H](O[Si](C)(C)C)c1ccccc1
InChIInChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)12(20-21(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3,(H,18,19)/t10-,12+/m0/s1
InChIKeyJFKPUFHQKOLHQD-CMPLNLGQSA-N
XLogP3.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.65
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

N-[(2S,3S)-4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 23586202
(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-(2,6-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
N-Acetylnorephedrine
CID 541809

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide (CID 11771549) is 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide is C[C@H](NC(=O)C(F)(F)F)[C@@H](O[Si](C)(C)C)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide?
The InChIKey is JFKPUFHQKOLHQD-CMPLNLGQSA-N. The full InChI is InChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)12(20-21(2,3)4)11-8-6-5-7-9-11/h5-10,12H,1-4H3,(H,18,19)/t10-,12+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.65, 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-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide is sourced from PubChem (CID 11771549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).