3,3,3-Trifluoroalanine

C3H4F3NO2CAS 17463-43-3143.07 g/mol

Open in Covalent MOL file
NH2OHOFFF
Alkyl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

3-Fluoro-dl-valine43163-94-661 % similar 4,4,4,4′,4′,4′-Hexafluorovaline16063-80-257 % similar 2H-Hexafluoro(2-methylpropanoic acid)564-10-356 % similar L-tert-Leucine20859-02-356 % similar D-tert-Leucine26782-71-856 % similar tert-Leucine33105-81-656 % similar 3,3,3-Trifluorolactic acid684-07-152 % similar 3-Methyl-L-threonine2280-27-552 % 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

PubChem CAS Common Chemistry NIST WebBook