trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate

C17H26F3NO4Si2 — CID 102117496

IUPACtrimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate
SMILESC[Si](C)(C)OC(=O)[C@H](Cc1ccc(O[Si](C)(C)C)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C17H26F3NO4Si2/c1-26(2,3)24-13-9-7-12(8-10-13)11-14(15(22)25-27(4,5)6)21-16(23)17(18,19)20/h7-10,14H,11H2,1-6H3,(H,21,23)/t14-/m0/s1
InChIKeyXLYFFJILWRWLFT-AWEZNQCLSA-N
MW421.56 g/mol
LogP3.87
Rot. Bonds7

About trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate

trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate (PubChem CID 102117496) has the molecular formula C17H26F3NO4Si2 and a molecular weight of 421.56 g/mol. Its IUPAC name is trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate.

Molecular Properties

Compound Nametrimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate
PubChem CID102117496
Molecular FormulaC17H26F3NO4Si2
Molecular Weight421.56 g/mol
Exact Mass421.14
IUPAC Nametrimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate
SMILESC[Si](C)(C)OC(=O)[C@H](Cc1ccc(O[Si](C)(C)C)cc1)NC(=O)C(F)(F)F
InChIInChI=1S/C17H26F3NO4Si2/c1-26(2,3)24-13-9-7-12(8-10-13)11-14(15(22)25-27(4,5)6)21-16(23)17(18,19)20/h7-10,14H,11H2,1-6H3,(H,21,23)/t14-/m0/s1
InChIKeyXLYFFJILWRWLFT-AWEZNQCLSA-N
XLogP3.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate?
The IUPAC name of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate (CID 102117496) is trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate.
What is the SMILES notation for trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate?
The canonical SMILES for trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate is C[Si](C)(C)OC(=O)[C@H](Cc1ccc(O[Si](C)(C)C)cc1)NC(=O)C(F)(F)F.
What is the InChIKey of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate?
The InChIKey is XLYFFJILWRWLFT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H26F3NO4Si2/c1-26(2,3)24-13-9-7-12(8-10-13)11-14(15(22)25-27(4,5)6)21-16(23)17(18,19)20/h7-10,14H,11H2,1-6H3,(H,21,23)/t14-/m0/s1.
What are the key properties of trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate?
trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate has a molecular weight of 421.56 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (2S)-2-[(2,2,2-trifluoroacetyl)amino]-3-(4-trimethylsilyloxyphenyl)propanoate is sourced from PubChem (CID 102117496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).