3,3,3-Trifluoroalanine ethyl ester hydrochloride

C₅H₉ClF₃NO₂CAS 193140-71-5207.58 g/mol

Open in Covalent MOL file

Alkyl halide Ester Primary amine

Properties

Molecular formula: C₅H₉ClF₃NO₂
Molar mass: 207.58 g/mol
Exact mass: 207.0274 Da
logP: 0.86Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

193140-71-5

SMILES

CCOC(=O)C(C(F)(F)F)N.Cl

InChIKey

MNFISCBCWBUTTQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8F3NO2.ClH/c1-2-11-4(10)3(9)5(6,7)8;/h3H,2,9H2,1H3;1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Amino-3,3,3-trifluoro-propionic acid ethyl ester hydrochloride

Work with 3,3,3-Trifluoroalanine ethyl ester hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl aminomalonate hydrochloride13433-00-659 % similar (S)-Alanine ethyl ester hydrochloride1115-59-956 % similar DL-α-Alanine ethyl ester hydrochloride617-27-656 % similar H-D-Ala-oet hcl6331-09-556 % similar Methyl 3,3,3-trifluoroalaninate27240-44-454 % similar (S)-Valine ethyl ester hydrochloride17609-47-153 % similar (±)-Valine ethyl ester hydrochloride23358-42-153 % similar L-Seryl ethyl ester hydrochloride26348-61-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook