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

ethyl 2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetate
CID 60690805
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161
ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
CID 47425316
ethyl 1-[(2-bromoacetyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]cyclopropane-1-carboxylate
CID 146435290
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[3-methylbutyl-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrol-2-yl]methyl]amino]acetate
CID 7350393
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
methyl 4-[(3-ethoxy-3-oxopropanoyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]-2,5-dihydrofuran-3-carboxylate
CID 118978265
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
ethyl 2-[[2-hydroxy-4-(trifluoromethyl)phenyl]methyl-[[4-(tridecanoylamino)phenyl]methyl]amino]acetate
CID 141074425
ethyl 6-[4-(trifluoromethyl)phenyl]hexanoate
CID 11737774

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).