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

C11H12F3NO2 — CID 3957976

IUPACethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)11(12,13)14/h3-6,9H,2,15H2,1H3
InChIKeyRBBDBFMYLFXDIV-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.27
Rot. Bonds3

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

ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate (PubChem CID 3957976) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate
PubChem CID3957976
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Nameethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate
SMILESCCOC(=O)C(N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO2/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)11(12,13)14/h3-6,9H,2,15H2,1H3
InChIKeyRBBDBFMYLFXDIV-UHFFFAOYSA-N
XLogP2.27
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate (CID 3957976) is ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate is CCOC(=O)C(N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
The InChIKey is RBBDBFMYLFXDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-2-17-10(16)9(15)7-3-5-8(6-4-7)11(12,13)14/h3-6,9H,2,15H2,1H3.
What are the key properties of ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate?
ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate has a molecular weight of 247.22 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-[4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 3957976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).