3,3,3-Trifluoroalanine

C₃H₄F₃NO₂CAS 17463-43-3143.07 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₃H₄F₃NO₂
Molar mass: 143.07 g/mol
Exact mass: 143.0194 Da
logP: -0.04Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Identifiers

CAS number

17463-43-3

SMILES

NC(C(=O)O)C(F)(F)F

InChIKey

HMJQKIDUCWWIBW-UHFFFAOYSA-N

InChI

InChI=1S/C3H4F3NO2/c4-3(5,6)1(7)2(8)9/h1H,7H2,(H,8,9)

Weigh it out

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

Names and synonyms

9 names

Alanine, 3,3,3-trifluoro-
3,3,3-Trifluoro-DL-alanine
β,β,β-Trifluoro-DL-alanine
DL-3,3,3-Trifluoroalanine
DL-α-Trifluoromethylglycine
DL-Trifluoroalanine
2-Amino-3,3,3-trifluoropropanoic acid
Alanine, 3,3,3-trifluoro-, DL-
DL-Alanine, 3,3,3-trifluoro-

Work with 3,3,3-Trifluoroalanine

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

4,4,4,4′,4′,4′-Hexafluorovaline16063-80-257 % similar L-tert-Leucine20859-02-356 % similar D-tert-Leucine26782-71-856 % similar tert-Leucine33105-81-656 % similar 3-Methyl-L-threonine2280-27-552 % similar L-Penicillamine1113-41-350 % similar L-Valine, 3,3′-dithiobis-113626-33-850 % similar (±)-Penicillamine52-66-450 % similar

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

Same formula

2,2,2-Trifluoro-N-(hydroxymethyl)acetamide50667-69-1

Elsewhere

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