2,6-Difluoro-l-phenylalanine

C₉H₉F₂NO₂CAS 33787-05-2201.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₉F₂NO₂
Molar mass: 201.17 g/mol
Exact mass: 201.0601 Da
logP: 0.92Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

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

33787-05-2

SMILES

C1=CC(=C(C(=C1)F)C[C@@H](C(=O)O)N)F

InChIKey

RFOVYDPRGDZBLJ-QMMMGPOBSA-N

InChI

InChI=1S/C9H9F2NO2/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)/t8-/m0/s1

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Names and synonyms

1 names

Dl-2,6-difluorophenylalanine

Work with 2,6-Difluoro-l-phenylalanine

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

2-Fluoro-L-phenylalanine19883-78-470 % similar DL-2-Fluorophenylalanine2629-55-270 % similar 2-Fluoro-D-phenylalanine97731-02-770 % similar L-Pentafluorophe34702-59-561 % similar D-Pentafluorophe40332-58-961 % similar 3-Fluoro-D-phenylalanine110117-84-560 % similar 3-Fluoro-L-phenylalanine19883-77-360 % similar 4-Fluorotryptophan25631-05-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-1-(2,2-Difluoro-benzo[1,3]dioxol-4-yl)-ethylamine1213203-92-9 N-[4-(Difluoromethoxy)phenyl]acetamide22236-11-9 3,5-Difluoro-D-phenylalanine266360-63-8 3,4-Difluoro-L-phenylalanine31105-90-5 3,5-Difluoro-L-phenylalanine31105-91-6 2,4-Difluoro-dl-phenylalanine32133-35-0 Dl-3,4-difluorophenylalanine32133-36-1 3,5-Difluorophenylalanine32133-37-2

Elsewhere

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