4,4,4,4′,4′,4′-Hexafluorovaline

C₅H₅F₆NO₂CAS 16063-80-2225.09 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₅H₅F₆NO₂
Molar mass: 225.09 g/mol
Exact mass: 225.0224 Da
logP: 1.14Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

16063-80-2

SMILES

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

InChIKey

KRNSHCKTGFAMPQ-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F6NO2/c6-4(7,8)2(5(9,10)11)1(12)3(13)14/h1-2H,12H2,(H,13,14)

Weigh it out

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

Names and synonyms

5 names

Valine, 4,4,4,4′,4′,4′-hexafluoro-
Butyric acid, 2-amino-4,4,4-trifluoro-3-(trifluoromethyl)-, DL-
DL-Valine, 4,4,4,4′,4′,4′-hexafluoro-
NSC 270745
2-Amino-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid

Work with 4,4,4,4′,4′,4′-Hexafluorovaline

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

3,3,3-Trifluoroalanine17463-43-357 % similar D-Valine640-68-648 % similar Valine72-18-448 % similar Allothreonine144-98-945 % similar D-Allothreonine24830-94-245 % similar (αS)-α-Aminocyclopentaneacetic acid2521-84-845 % similar (αR)-α-Aminocyclopentaneacetic acid2521-86-045 % similar α-Aminocyclobutaneacetic acid28024-69-345 % similar

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

Elsewhere

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