4,4,4,4′,4′,4′-Hexafluorovaline

C5H5F6NO2CAS 16063-80-2225.09 g/mol

Open in Covalent MOL file
NH2OHOFFFFFF
Alkyl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
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

6 names
  • 4,4,4,4',4',4'-Hexafluorovaline
  • 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 2-Amino-3-fluorobutanoic acid50885-01-353 % similar 2H-Hexafluoro(2-methylpropanoic acid)564-10-352 % similar L-Cyclopropylglycine49606-99-748 % similar D-Cyclopropylglycine49607-01-448 % similar DL-Valine516-06-348 % similar D-Valine640-68-648 % similar 3,3,3-Trifluorolactic acid684-07-148 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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