5,5,5-Trifluoroleucine

C6H10F3NO2CAS 2792-72-5185.15 g/mol

Open in Covalent MOL file
NH2OOHFFF
Alkyl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 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
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 Leucine328-39-258 % similar Leucine61-90-558 % similar 2-Amino-4,4,4-trifluorobutanoic acid15959-93-056 % similar 4-Fluoroglutamic acid2708-77-251 % similar L-Cyclopropylalanine102735-53-550 % similar D-Cyclopropylalanine121786-39-850 % similar 4,4,4-Trifluoro-3-methylbutanoic acid348-75-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl 3-amino-4,4,4-trifluorobutyrate170804-18-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook