4-Fluorotryptophan

C₁₁H₁₁FN₂O₂CAS 25631-05-4222.22 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₁₁H₁₁FN₂O₂
Molar mass: 222.22 g/mol
Exact mass: 222.0805 Da
logP: 1.26Crippen estimate
Polar surface area: 79.1 Å²
H-bond donors / acceptors: 3 / 2
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

25631-05-4

SMILES

C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N

InChIKey

DEBQMEYEKKWIKC-UHFFFAOYSA-N

InChI

InChI=1S/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)

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Names and synonyms

1 names

4-Fluoro-dl-tryptophan

Work with 4-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

D-Tryptophan153-94-664 % similar (±)-Tryptophan54-12-664 % similar Tryptophan73-22-364 % similar 2-Fluoro-L-phenylalanine19883-78-462 % similar DL-2-Fluorophenylalanine2629-55-262 % similar 2,6-Difluoro-l-phenylalanine33787-05-260 % similar 6-Chloro-L-tryptophan33468-35-855 % similar (+-)-5-Hydroxytryptophan114-03-454 % similar

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

Same formula

5-Fluoro-DL-tryptophan154-08-5 6-Fluorotryptophan7730-20-3

Elsewhere

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