3-Fluoro-L-tyrosine

C9H10FNO3CAS 7423-96-3199.18 g/mol

Open in Covalent MOL file
H2NOHFOOH
Aryl halideCarboxylic acidPhenolPrimary amine

Properties

Molecular formula
C9H10FNO3
Molar mass
199.18 g/mol
Exact mass
199.0645 Da
Melting point
278–279 °C (decomposes)
logP
0.49Crippen estimate
Polar surface area
83.5 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Sin SMILES atom order

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
7423-96-3
SMILES
N[C@@H](Cc1ccc(O)c(F)c1)C(=O)O
InChIKey
VIIAUOZUUGXERI-ZETCQYMHSA-N
InChI
InChI=1S/C9H10FNO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1

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Names and synonyms

6 names
  • L-Tyrosine, 3-fluoro-
  • Tyrosine, 3-fluoro-, L-
  • L-m-Fluorotyrosine
  • (S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid
  • (2S)-2-Azaniumyl-3-(3-fluoro-4-hydroxyphenyl)propanoate
  • (2S)-2-Amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Work with 3-Fluoro-L-tyrosine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Fluoro-DL-tyrosine403-90-7Stereo not defined

Similar compounds

3,4-Difluoro-L-phenylalanine31105-90-577 % similar Dl-3,4-difluorophenylalanine32133-36-177 % similar D-Dopa5796-17-874 % similar DOPA59-92-774 % similar Dl-dopa63-84-374 % similar 3-Aminotyrosine300-34-569 % similar 3-Iodo-L-tyrosine70-78-067 % similar 3-Chloro-L-tyrosine7423-93-067 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook