BioLiP

PDB

BioLiP

PDB CCD ID:

A1CFR

Number of entries in BioLiP:

Chemical formula:

C8 H14 F3 N

InChI:

InChI=1S/C8H14F3N/c1-12-7-4-2-6(3-5-7)8(9,10)11/h6-7,12H,2-5H2,1H3/t6-,7-

InChIKey:

QUUODNYZDCDMHQ-LJGSYFOKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[CH]1CC[CH](CC1)C(F)(F)F
ACDLabs 14.52 OpenEye OEToolkits 3.1.0.0	CNC1CCC(CC1)C(F)(F)F
CACTVS 3.385	CN[C@H]1CC[C@@H](CC1)C(F)(F)F

Name:

(1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine

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).