ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate

C16H24F3NO2Si — CID 132541057

IUPACethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[Si](C)(C)C
InChIInChI=1S/C16H24F3NO2Si/c1-5-22-15(21)11-20(12-23(2,3)4)10-13-6-8-14(9-7-13)16(17,18)19/h6-9H,5,10-12H2,1-4H3
InChIKeyFKBSMJVSXQSMHI-UHFFFAOYSA-N
MW347.45 g/mol
LogP3.95
Rot. Bonds7

About ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate

ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate (PubChem CID 132541057) has the molecular formula C16H24F3NO2Si and a molecular weight of 347.45 g/mol. Its IUPAC name is ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate
PubChem CID132541057
Molecular FormulaC16H24F3NO2Si
Molecular Weight347.45 g/mol
Exact Mass347.15
IUPAC Nameethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate
SMILESCCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[Si](C)(C)C
InChIInChI=1S/C16H24F3NO2Si/c1-5-22-15(21)11-20(12-23(2,3)4)10-13-6-8-14(9-7-13)16(17,18)19/h6-9H,5,10-12H2,1-4H3
InChIKeyFKBSMJVSXQSMHI-UHFFFAOYSA-N
XLogP3.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl benzyliminodiacetate
CID 5235503
Ethyl 1-[4-(trifluoromethyl)benzyl]-2-piperidinecarboxylate
CID 2838549
Benzyl-(2-heptoxy-2-oxoethyl)-dimethylazanium bromide
CID 137637644
Benzyl-(2-hexoxy-2-oxoethyl)-dimethylazanium bromide
CID 137642612
Benzyl(2-ethoxy-2-oxoethyl)dimethylazanium
CID 3616440
Ethyl 2-(dibenzylamino)acetate
CID 3553452
2-(Acetyloxy)-N-benzyl-N,N-dimethylethan-1-aminium bromide
CID 36079
3,1-Benzazasilinium, 1,2,3,4-tetrahydro-3-(2-ethoxy-2-oxoethyl)-1,1,3-trimethyl-, iodide
CID 3075744
Benzyl(2,2,2-trifluoro-1-methoxyethyl)((trimethylsilyl)methyl)amine
CID 71534067
Ethyl 2-(((4-methylphenyl)methyl)amino)acetate hydrochloride
CID 24195402
Ethyl 2-[benzyl(2-cyanoethyl)amino]acetate
CID 11334085
Ethyl 2-[benzyl(2-oxopropyl)amino]acetate
CID 11459339

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate?
The IUPAC name of ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate (CID 132541057) is ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate?
The canonical SMILES for ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate is CCOC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[Si](C)(C)C.
What is the InChIKey of ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate?
The InChIKey is FKBSMJVSXQSMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO2Si/c1-5-22-15(21)11-20(12-23(2,3)4)10-13-6-8-14(9-7-13)16(17,18)19/h6-9H,5,10-12H2,1-4H3.
What are the key properties of ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate?
ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate has a molecular weight of 347.45 g/mol, XLogP of 3.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(trifluoromethyl)phenyl]methyl-(trimethylsilylmethyl)amino]acetate is sourced from PubChem (CID 132541057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).