5,5,5-Trifluoroleucine

C₆H₁₀F₃NO₂CAS 2792-72-5185.15 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₆H₁₀F₃NO₂
Molar mass: 185.15 g/mol
Exact mass: 185.0664 Da
logP: 0.99Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

2792-72-5

SMILES

CC(CC(N)C(=O)O)C(F)(F)F

InChIKey

XFGVJLGVINCWDP-UHFFFAOYSA-N

InChI

InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

11 names

Leucine, 5,5,5-trifluoro-
Leucine, 5,5,5-trifluoro-, DL-
DL-Leucine, 5,5,5-trifluoro-
DL-5′,5′,5′-Trifluoroleucine
Norvaline, 5,5,5-trifluoro-4-methyl-, DL-
DL-5,5,5-Trifluoroleucine
5′,5′,5′-Trifluoroleucine
Trifluoroleucine
5,5,5-Trifluoro-DL-leucine
NSC 90440
2-Amino-5,5,5-trifluoro-4-methylpentanoic acid

Work with 5,5,5-Trifluoroleucine

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

D-Leucine328-38-158 % similar Leucine61-90-558 % similar 4-Fluoroglutamic acid2708-77-251 % similar L-Cyclopropylalanine102735-53-550 % similar D-Cyclopropylalanine121786-39-850 % similar (+)-α-Aminobutyric acid1492-24-647 % similar 3,3,3-Trifluoroalanine17463-43-347 % similar D-α-Aminobutyric acid2623-91-847 % similar

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

Elsewhere

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