Glycine, N-ethyl-N-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester

HCID 174709

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Basic information

CAS: 88881-65-6
Standard SMILES: CCN(CC(=O)OCC(F)(F)F)c1cccc(C)c1
InChIKey: CTPTXCRGTSLBLX-UHFFFAOYSA-N
Molecular formula: C13H16F3NO2
Average molar mass: 275.27 g/mol
Monoisotopic mass: 275.11331324

Names & identifiers

Preferred name: Glycine, N-ethyl-N-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester
IUPAC: 2,2,2-trifluoroethyl 2-(N-ethyl-3-methylanilino)acetate

Names & synonyms

Glycine, N-ethyl-N-(3-methylphenyl)-, 2,2,2-trifluoroethyl ester88881-65-6DTXSID9073701RefChem:346565DTXCID90486452,2,2-trifluoroethyl N-ethyl-N-(3-methylphenyl)glycinateSCHEMBL11143893N-Ethyl-N-(2,2,2-trifluoroethoxycarbonylmethyl)-m-toluidine

Database identifiers

CAS: 88881-65-6
PubChem CID: 174709
DTXSID: DTXSID9073701

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 19
Formal charge: 0
Complexity: 294

Related reactions

1 records

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HRID 904880As productuspto-grants-1983_12

Compound notes

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