BioLiP

PDB

BioLiP

PDB CCD ID:

R1E

Number of entries in BioLiP:

Chemical formula:

C5 H8 F2 O2

InChI:

InChI=1S/C5H8F2O2/c6-5(7)1-3(8)4(9)2-5/h3-4,8-9H,1-2H2/t3-,4-/m0/s1

InChIKey:

RQJNPJXCMOLSSC-IMJSIDKUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(C(CC1(F)F)O)O
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@H](CC1(F)F)O)O
CACTVS 3.385	O[CH]1CC(F)(F)C[CH]1O
CACTVS 3.385	O[C@H]1CC(F)(F)C[C@@H]1O

Name:

trans-4,4-difluorocyclopentane-1,2-diol;
(1~{S},2~{S})-4,4-bis(fluoranyl)cyclopentane-1,2-diol

ZINC:

ZINC000238723630

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).