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

C17H28F3NO3Si2 — CID 6428510

IUPAC2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C17H28F3NO3Si2/c1-12(21-16(22)17(18,19)20)15(24-26(5,6)7)13-8-10-14(11-9-13)23-25(2,3)4/h8-12,15H,1-7H3,(H,21,22)
InChIKeyOFKWMVVAYVSNGP-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.86
Rot. Bonds7

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

2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (PubChem CID 6428510) has the molecular formula C17H28F3NO3Si2 and a molecular weight of 407.58 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
PubChem CID6428510
Molecular FormulaC17H28F3NO3Si2
Molecular Weight407.58 g/mol
Exact Mass407.16
IUPAC Name2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide
SMILESCC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1
InChIInChI=1S/C17H28F3NO3Si2/c1-12(21-16(22)17(18,19)20)15(24-26(5,6)7)13-8-10-14(11-9-13)23-25(2,3)4/h8-12,15H,1-7H3,(H,21,22)
InChIKeyOFKWMVVAYVSNGP-UHFFFAOYSA-N
XLogP4.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pholedrine, N-TFA-O-TMS
CID 529772
N-(Trifluoroacetyl)-O,O'-bis(trimethylsilyl) dopamine
CID 553666
N-(Trifluoroacetyl)-O,O',O''-tris(trimethylsilyl)norepinephrine
CID 553889
N-(Trifluoracetyl)-O,O',O''-tris(trimethylsilyl)epinephrine
CID 553891
Norephedrine, N-TFA-O-TMS
CID 6428506
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-[(1S,2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-1-phenylpropan-2-yl]-2,2,2-trifluoroacetamide
CID 134884413
Noradrenaline, N-HFB-O-TMS
CID 6427698
2Amino-1-phenylethanol, N-TFA-O-TMS
CID 6428499
Bamethane, N-TFA-O-TMS
CID 6428500

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide (CID 6428510) is 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is CC(NC(=O)C(F)(F)F)C(O[Si](C)(C)C)c1ccc(O[Si](C)(C)C)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
The InChIKey is OFKWMVVAYVSNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F3NO3Si2/c1-12(21-16(22)17(18,19)20)15(24-26(5,6)7)13-8-10-14(11-9-13)23-25(2,3)4/h8-12,15H,1-7H3,(H,21,22).
What are the key properties of 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide?
2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide has a molecular weight of 407.58 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-trimethylsilyloxy-1-(4-trimethylsilyloxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 6428510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).