Ethyl 2-(2,3,4-trifluoroanilino)propionate

HCID 22015871

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C(C)Nc1ccc(F)c(F)c1F
InChIKey: FKRFYZSIKJXFKE-UHFFFAOYSA-N
Molecular formula: C11H12F3NO2
Average molar mass: 247.21 g/mol
Monoisotopic mass: 247.08201311

Names & identifiers

Preferred name: Ethyl 2-(2,3,4-trifluoroanilino)propionate
IUPAC: ethyl 2-(2,3,4-trifluoroanilino)propanoate

Names & synonyms

SCHEMBL2331257FKRFYZSIKJXFKE-UHFFFAOYSA-NAKOS006147006Ethyl 2-(2,3,4-trifluoroanilino)propionate

Database identifiers

PubChem CID: 22015871

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 265

Related reactions

19 records

New reaction record

HRID 8432 reaction equation

HRID 8432As productuspto-grants-2006_08

HRID 8433 reaction equation

HRID 8433As productuspto-grants-2006_08

HRID 8435 reaction equation

HRID 8435As productuspto-grants-2006_08

HRID 8437 reaction equation

HRID 8437As productuspto-grants-2006_08

HRID 8443 reaction equation

HRID 8443As reactantuspto-grants-2006_08

HRID 124398 reaction equation

HRID 124398As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 293993 reaction equation

HRID 293993As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 458163 reaction equation

HRID 458163As productuspto-grants-2007_03

Compound notes

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