3-(Trifluoromethyl)-DL-phenylglycine

C9H8F3NO2CAS 242475-26-9219.16 g/mol

Open in Covalent MOL file
FFFOOHNH2
Alkyl halideCarboxylic acidPrimary 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 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
242475-26-9
SMILES
C1=CC(=CC(=C1)C(F)(F)F)C(C(=O)O)N
InChIKey
SRHNOGZIXICHOU-UHFFFAOYSA-N
InChI
InChI=1S/C9H8F3NO2/c10-9(11,12)6-3-1-2-5(4-6)7(13)8(14)15/h1-4,7H,13H2,(H,14,15)

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Names and synonyms

1 names
  • Amino-(3-trifluoromethyl-phenyl)-acetic acid

Work with 3-(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

Alpha-Amino-3-fluorobenzeneacetic acid7292-74-264 % similar 3-Amino-3-[3-(trifluoromethyl)phenyl]propanoic acid143438-91-961 % similar 2-Amino-2-(3-chlorophenyl)acetic acid7292-71-960 % similar D-3-Trifluoromethylphenylalanine14464-67-658 % similar 3-Trifluoromethyl-L-phenylalanine14464-68-758 % similar 3-(Trifluoromethyl)-dl-phenylalanine63701-37-158 % similar Phenylglycine2835-06-557 % similar L-Phenylglycine2935-35-557 % 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 2-(Trifluoromethyl)-DL-phenylglycine240490-00-0 Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-0 Methyl 2-amino-4-(trifluoromethyl)benzoate61500-87-6

Elsewhere

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