2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

C14H20F3NO2Si — CID 6428504

IUPAC2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O[Si](C)(C)C)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)9-11-5-7-12(8-6-11)20-21(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyXQJOUOPKHMJJLA-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.51
Rot. Bonds5

About 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide

2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (PubChem CID 6428504) has the molecular formula C14H20F3NO2Si and a molecular weight of 319.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
PubChem CID6428504
Molecular FormulaC14H20F3NO2Si
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(Cc1ccc(O[Si](C)(C)C)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)9-11-5-7-12(8-6-11)20-21(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeyXQJOUOPKHMJJLA-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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

2,2,2-Trifluoro-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 572282
2,2,2-trifluoro-N-(2-(4-methoxyphenyl)ethyl)acetamide
CID 885620
N-[1-(4-methoxyphenyl)propan-2-yl]acetamide
CID 541955
Acetamide, N-[2-(4-hydroxyphenyl)-1-methylethyl]-
CID 584229
Pholedrine, N-TFA-O-TMS
CID 529772
N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
Norephedrine, N-TFA-O-TMS
CID 6428506
2,2,2-Trifluoro-N-[1-(4-hydroxyphenyl)propan-2-yl]acetamide
CID 19014060
2,2,2-trifluoro-N-[(1R,2R)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
CID 10990790
2,2,2-trifluoro-N-[(1S,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
CID 11771549
2,2,2-trifluoro-N-[(1R,2S)-1-phenyl-1-trimethylsilyloxypropan-2-yl]acetamide
CID 134871977
N-[1,1,1-trifluoro-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 135065922

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (CID 6428504) is 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is CC(Cc1ccc(O[Si](C)(C)C)cc1)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The InChIKey is XQJOUOPKHMJJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2Si/c1-10(18-13(19)14(15,16)17)9-11-5-7-12(8-6-11)20-21(2,3)4/h5-8,10H,9H2,1-4H3,(H,18,19).
What are the key properties of 2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 3.51, 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-[1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 6428504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).