chempirical

6-Fluorotryptophan

C11H11FN2O2CAS 7730-20-3222.22 g/mol

Open in Covalent MOL file
H2NNHFOHO
Aryl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C11H11FN2O2
Molar mass
222.22 g/mol
Exact mass
222.0805 Da
Melting point
255 °C
logP
1.26Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
3 / 2
Rotatable bonds
3

Identifiers

CAS number
7730-20-3
SMILES
NC(Cc1c[nH]c2cc(F)ccc12)C(=O)O
InChIKey
YMEXGEAJNZRQEH-UHFFFAOYSA-N
InChI
InChI=1S/C11H11FN2O2/c12-7-1-2-8-6(3-9(13)11(15)16)5-14-10(8)4-7/h1-2,4-5,9,14H,3,13H2,(H,15,16)

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

Names and synonyms

9 names
  • Tryptophan, 6-fluoro-
  • Tryptophan, 6-fluoro-, DL-
  • DL-Tryptophan, 6-fluoro-
  • DL-6-Fluorotryptophan
  • DL-6-Fluorotryptophane
  • 6-Fluoro-DL-tryptophan
  • (±)-6-Fluorotryptophan
  • NSC 9364
  • 2-Amino-3-(6-fluoro-1H-indol-3-yl)propanoic acid

Work with 6-Fluorotryptophan

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

6-Methyl-dl-tryptophan2280-85-571 % similar 6-Chloro-L-tryptophan33468-35-871 % similar D-Tryptophan153-94-667 % similar (±)-Tryptophan54-12-667 % similar (±)-5-Hydroxytryptophan114-03-463 % similar 5-Hydroxytryptophan4350-09-863 % similar (±)-5-Hydroxytryptophan56-69-963 % similar (±)-5-Hydroxytryptophan72572-98-663 % similar

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

Same formula

5-Fluoro-dl-tryptophan154-08-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook