2-fluoro-2-phenylacetic-acid
General
Type : Haloacetate
Chemical_Nomenclature : 2-fluoro-2-phenylacetic acid
Canonical SMILES : C1=CC=C(C=C1)C(C(=O)O)F || C1=CC=C(C=C1)C(C(=O)[O-])F
InChI : InChI=1S\/C8H7FO2\/c9-7(8(10)11)6-4-2-1-3-5-6\/h1-5,7H,(H,10,11) || InChI=1S\/C8H7FO2\/c9-7(8(10)11)6-4-2-1-3-5-6\/h1-5,7H,(H,10,11)\/p-1
InChIKey : ATPPNMLQNZHDOG-UHFFFAOYSA-N || ATPPNMLQNZHDOG-UHFFFAOYSA-M
Other name(s) : 2-fluoro-2-phenylacetic acid || alpha-Fluorophenylacetic acid || Fluorophenylacetic acid || A-Fluorophenylacetic acid || (R)-2-Fluoro-2-phenylacetic acid || (2R)-2-fluoro-2-phenylacetic acid || Benzeneacetic acid, alpha-fluoro-, (alphaR)- || (R)-2-Fluoro-2-phenylaceticacid || (S)-2-Fluoro-2-phenylaceticacid || (S)-2-Fluoro-2-phenylacetic acid || 2-fluoro-2-phenylacetate
MW : 154.14 || 153.13
Formula : C8H7FO2 || C8H6FO2-
CAS_number : 1578-63-8, 63818-94-0, 63818-95-1
PubChem : 102649, 7003725, 7003723, 22174045
UniChem : ATPPNMLQNZHDOG-UHFFFAOYSA-N, ATPPNMLQNZHDOG-UHFFFAOYSA-M
Target
Structures : No structure
Families : Haloacetate_dehalogenase
References (2)
| Title : Decoding cryptic defluorinases through a latent generative sequence landscape - Ji_2026_Chem.Sci__ |
| Author(s) : Ji K , Barnes SS , Ziegler C , Nikpey M , de la Paz JA , Pack EK , Kvasovs N , Morcos F , Dodani SC |
| Ref : Chem Sci , : , 2026 |
| Abstract : |
| PubMedSearch : Ji_2026_Chem.Sci__ |
| PubMedID: 42292942 |
| Gene_locus related to this paper: 9brad-a0a4u6bn52 , 9burk-a0a4z0bvy8 , 9brad-k8ny92 , rhopl-a0a2r4gqn1 , 9hyph-a0a5p9cv11 , 9pseu-a0a5p9pyn8 , 9brad-a0a840n899 , 9myco-a0a960h4u9 , mettu-a0a4v6imr0 , rhopa-q6nam1 |
| Title : Investigating Substrate Scope and Enantioselectivity of a Defluorinase by a Stereochemical Probe - Wang_2017_J.Am.Chem.Soc_139_11241 |
| Author(s) : Wang JB , Ilie A , Yuan S , Reetz MT |
| Ref : Journal of the American Chemical Society , 139 :11241 , 2017 |
| Abstract : |
| PubMedSearch : Wang_2017_J.Am.Chem.Soc_139_11241 |
| PubMedID: 28741946 |