4-(Trifluoromethyl)-dl-phenylglycine

C₉H₈F₃NO₂CAS 142012-65-5219.16 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 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

142012-65-5

SMILES

C1=CC(=CC=C1C(C(=O)O)N)C(F)(F)F

InChIKey

FANMQHUKZBBELZ-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

Amino(4-(trifluoromethyl)phenyl)acetic acid

Work with 4-(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

4-(Trifluoromethyl)mandelic acid395-35-764 % similar (S)-4-Fluorophenylglycine19883-57-963 % similar (1)-4-Fluorophenylglycine7292-73-163 % similar D-(-)-4-Fluorophenylglycine93939-74-363 % similar D-P-Hydroxyphenylglycine22818-40-262 % similar Oxfenicine32462-30-962 % similar 4-Hydroxyphenylglycine938-97-662 % similar Phenylglycine2835-06-559 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2-amino-5-(trifluoromethyl)benzoate117324-58-0 Ethyl 2-(Trifluoromethyl)nicotinate208517-35-5 2-(Trifluoromethyl)-DL-phenylglycine240490-00-0 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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