Dichlorophenyl-trifluoroethanol

General

Type : Trifluoro

Chemical_Nomenclature : (1R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethanol

Canonical SMILES : C1=CC(=C(C=C1[C@H](C(F)(F)F)O)Cl)Cl

InChI : InChI=1S\/C8H5Cl2F3O\/c9-5-2-1-4(3-6(5)10)7(14)8(11,12)13\/h1-3,7,14H\/t7-\/m1\/s1

InChIKey : GOCHXDOXYWWSKG-SSDOTTSWSA-N

Other name(s) : A1EIY  ||  F-3  ||  (1R)-1-(3,4-dichlorophenyl)-2,2,2-tris(fluoranyl)ethanol  ||  (R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethanol  ||  (1R)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethan-1-ol  ||  EN300-1931817


MW : 245.02

Formula : C8H5Cl2F3O

CAS_number : 1395078-79-1

PubChem : 86705489

UniChem : GOCHXDOXYWWSKG-SSDOTTSWSA-N

Target

Families : Dichlorophenyl-trifluoroethanol ligand of proteins in family
Carb_B_Chordata

Structure :
9KWL

Protein :
human-CES1

References (1)

Title : The study of halogen effect on the reactivity of the serine-targeting covalent warheads - Gai_2024_Front.Chem_12_1504453
Author(s) : Gai C , Zhang Y , Zhang S , Hu X , Song YQ , Zhuang X , Chai X , Zou Y , Ge GB , Zhao Q
Ref : Front Chem , 12 :1504453 , 2024
Abstract :
PubMedSearch : Gai_2024_Front.Chem_12_1504453
PubMedID: 39691824
Gene_locus related to this paper: human-CES1