ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate

C13H16F3NO2 — CID 113245783

IUPACethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
SMILESCCOC(=O)C(NCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-2-19-12(18)11(10-6-4-3-5-7-10)17-9-8-13(14,15)16/h3-7,11,17H,2,8-9H2,1H3
InChIKeyWGAURYMGJOTGGR-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.83
Rot. Bonds6

About ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate

ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate (PubChem CID 113245783) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
PubChem CID113245783
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Nameethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate
SMILESCCOC(=O)C(NCCC(F)(F)F)c1ccccc1
InChIInChI=1S/C13H16F3NO2/c1-2-19-12(18)11(10-6-4-3-5-7-10)17-9-8-13(14,15)16/h3-7,11,17H,2,8-9H2,1H3
InChIKeyWGAURYMGJOTGGR-UHFFFAOYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate 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

ethyl 2-(5-hydroxypentylamino)-2-phenylacetate
CID 107318255
ethyl 2-(3-methoxypropylamino)-2-phenylacetate
CID 103600852
ethyl 2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetate
CID 113357564
ethyl 2-[(4-fluorophenyl)methylamino]-2-phenylacetate
CID 103600877
ethyl 2-[(2-hydroxy-2-methylpentyl)amino]-2-phenylacetate
CID 103952035
ethyl 2-(4-chlorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892665
ethyl (2R)-2-phenyl-2-[[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]amino]acetate
CID 178178540
ethyl 2-[3-(2-methylpropoxy)propylamino]-2-phenylacetate
CID 103950593
methyl 2-phenyl-2-(2,2,2-trifluoroethylamino)acetate
CID 60997518
ethyl 2-[(2-hydroxy-4,4-dimethylpentyl)amino]-2-phenylacetate
CID 103952051
ethyl (2S)-2-[(2-ethoxy-2-oxoacetyl)amino]-2-phenylacetate
CID 102489983
ethyl 2-phenyl-2-[[(E)-3-phenylprop-2-enyl]amino]acetate
CID 90042137

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate?
The IUPAC name of ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate (CID 113245783) is ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate.
What is the SMILES notation for ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate?
The canonical SMILES for ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate is CCOC(=O)C(NCCC(F)(F)F)c1ccccc1.
What is the InChIKey of ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate?
The InChIKey is WGAURYMGJOTGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-2-19-12(18)11(10-6-4-3-5-7-10)17-9-8-13(14,15)16/h3-7,11,17H,2,8-9H2,1H3.
What are the key properties of ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate?
ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate has a molecular weight of 275.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenyl-2-(3,3,3-trifluoropropylamino)acetate is sourced from PubChem (CID 113245783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).