BioLiP

PDB

BioLiP

PDB CCD ID:

HLT

Number of entries in BioLiP:

Chemical formula:

C2 H Br Cl F3

InChI:

InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1

InChIKey:

BCQZXOMGPXTTIC-SFOWXEAESA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	[C@@H](C(F)(F)F)(Cl)Br
OpenEye OEToolkits 1.5.0	C(C(F)(F)F)(Cl)Br
ACDLabs 10.04	BrC(Cl)C(F)(F)F
CACTVS 3.341	FC(F)(F)[C@H](Cl)Br
CACTVS 3.341	FC(F)(F)[CH](Cl)Br

Name:

2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE

ZINC:

ZINC000008220828

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).