BioLiP

PDB

BioLiP

PDB CCD ID:

DFE

Number of entries in BioLiP:

Chemical formula:

C4 H5 F5 O

InChI:

InChI=1S/C4H5F5O/c1-3(5,6)10-2-4(7,8)9/h2H2,1H3

InChIKey:

LUGFHDZVRRASHY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	2-(1,1-difluoroethoxy)-1,1,1-trifluoroethane
CACTVS 3.341	CC(F)(F)OCC(F)(F)F
OpenEye OEToolkits 1.5.0	CC(OCC(F)(F)F)(F)F

Name:

2-(1,1-DIFLUOROETHOXY)-1,1,1-TRIFLUOROETHANE

ZINC:

ZINC000008698362

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).