3-Fluoro-DL-tyrosine

C₉H₁₀FNO₃CAS 403-90-7199.18 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Phenol Primary amine

Properties

Molecular formula: C₉H₁₀FNO₃
Molar mass: 199.18 g/mol
Exact mass: 199.0645 Da
Melting point: 276–277 °C (decomposes)
logP: 0.49Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin90.7% of notifiers
H332 Harmful if inhaled90.7% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

403-90-7

SMILES

NC(Cc1ccc(O)c(F)c1)C(=O)O

InChIKey

VIIAUOZUUGXERI-UHFFFAOYSA-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)

Weigh it out

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

Names and synonyms

13 names · show all

Tyrosine, 3-fluoro-
Tyrosine, 3-fluoro-, DL-
DL-Tyrosine, 3-fluoro-
3-Fluorotyrosine
DL-m-Fluorotyrosine
Ba 2745
DL-3-Fluorotyrosine
Pardinon
m-Fluoro-DL-tyrosine
DL-3-Fluorotyrosin
Fluorthyrin
NSC 83231
2-Amino-3-(3-fluoro-4-hydroxyphenyl)propanoic acid

Work with 3-Fluoro-DL-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-L-tyrosine7423-96-3Defined stereoisomer

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

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