2-(Trifluoromethyl)-DL-phenylglycine

C₉H₈F₃NO₂CAS 240490-00-0219.16 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₉H₈F₃NO₂
Molar mass: 219.16 g/mol
Exact mass: 219.0507 Da
logP: 1.79Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Warning

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

Aggregated from 40 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

240490-00-0

SMILES

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

InChIKey

WSMXFJGWNKBPHC-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F3NO2/c10-9(11,12)6-4-2-1-3-5(6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)

Weigh it out

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

Names and synonyms

1 names

Amino-(2-trifluoromethyl-phenyl)-acetic acid

Work with 2-(Trifluoromethyl)-DL-phenylglycine

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-Fluorophenyl)glycine2343-27-361 % similar 2-(2-Chlorophenyl)glycine141196-64-756 % similar (αS)-α-Amino-2-chlorobenzeneacetic acid141315-50-656 % similar D-(+)-(2-Chlorophenyl)glycine86169-24-656 % similar 2-(2-Chlorophenyl)glycine88744-36-956 % similar 2-Amino-3-(2-(trifluoromethyl)phenyl)propanoic Acid3832-73-356 % similar Amino-(2-methoxy-phenyl)-acetic acid271583-17-652 % similar Phenylglycine2835-06-551 % similar

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

Same formula

Methyl 2-amino-5-(trifluoromethyl)benzoate117324-58-0 4-(Trifluoromethyl)-dl-phenylglycine142012-65-5 Ethyl 2-(Trifluoromethyl)nicotinate208517-35-5 3-(Trifluoromethyl)-DL-phenylglycine242475-26-9 Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-0 Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-6

Elsewhere

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