ethyl 2-[4-(trifluoromethoxy)anilino]acetate

C11H12F3NO3 — CID 2733017

IUPACethyl 2-[4-(trifluoromethoxy)anilino]acetate
SMILESCCOC(=O)CNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)7-15-8-3-5-9(6-4-8)18-11(12,13)14/h3-6,15H,2,7H2,1H3
InChIKeyFNHJUHOZXLJSJE-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.56
Rot. Bonds5

About ethyl 2-[4-(trifluoromethoxy)anilino]acetate

ethyl 2-[4-(trifluoromethoxy)anilino]acetate (PubChem CID 2733017) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl 2-[4-(trifluoromethoxy)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(trifluoromethoxy)anilino]acetate
PubChem CID2733017
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-[4-(trifluoromethoxy)anilino]acetate
SMILESCCOC(=O)CNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO3/c1-2-17-10(16)7-15-8-3-5-9(6-4-8)18-11(12,13)14/h3-6,15H,2,7H2,1H3
InChIKeyFNHJUHOZXLJSJE-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(trifluoromethoxy)anilino]acetate?
The IUPAC name of ethyl 2-[4-(trifluoromethoxy)anilino]acetate (CID 2733017) is ethyl 2-[4-(trifluoromethoxy)anilino]acetate.
What is the SMILES notation for ethyl 2-[4-(trifluoromethoxy)anilino]acetate?
The canonical SMILES for ethyl 2-[4-(trifluoromethoxy)anilino]acetate is CCOC(=O)CNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of ethyl 2-[4-(trifluoromethoxy)anilino]acetate?
The InChIKey is FNHJUHOZXLJSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-2-17-10(16)7-15-8-3-5-9(6-4-8)18-11(12,13)14/h3-6,15H,2,7H2,1H3.
What are the key properties of ethyl 2-[4-(trifluoromethoxy)anilino]acetate?
ethyl 2-[4-(trifluoromethoxy)anilino]acetate has a molecular weight of 263.21 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(trifluoromethoxy)anilino]acetate is sourced from PubChem (CID 2733017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).