SEQ2FUN

BioLiP

PDB CCD ID: 4LE
Number of entries in BioLiP: 2
Chemical formula: C3 H2 Cl F5 O
InChI: InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m0/s1
InChIKey: PIWKPBJCKXDKJR-SFOWXEAESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C(F)(F)F)(OC(F)F)Cl
OpenEye OEToolkits 1.9.2[C@@H](C(F)(F)F)(OC(F)F)Cl
CACTVS 3.385FC(F)O[C@H](Cl)C(F)(F)F
ether
CACTVS 3.385FC(F)O[CH](Cl)C(F)(F)F
Name:(2R)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
ZINC: ZINC000003872952
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).