BioLiP

PDB

BioLiP

PDB CCD ID:

FLB

Number of entries in BioLiP:

Chemical formula:

C12 H12 F6 O2

InChI:

InChI=1S/C12H12F6O2/c1-2-19-3-4-20-10-6-8(11(13,14)15)5-9(7-10)12(16,17)18/h5-7H,2-4H2,1H3

InChIKey:

GWAJLKXPMOKZEL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370 OpenEye OEToolkits 1.7.6	CCOCCOc1cc(cc(c1)C(F)(F)F)C(F)(F)F
ACDLabs 12.01	FC(F)(F)c1cc(OCCOCC)cc(c1)C(F)(F)F

Name:

1-(2-ethoxyethoxy)-3,5-bis(trifluoromethyl)benzene

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).