BioLiP

PDB

BioLiP

PDB CCD ID:

ICF

Number of entries in BioLiP:

Chemical formula:

C3 H2 Cl F5 O

InChI:

InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1

InChIKey:

PIWKPBJCKXDKJR-PVQJCKRUSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(C(F)(F)F)(OC(F)F)Cl
CACTVS 3.341	FC(F)O[C@@H](Cl)C(F)(F)F
CACTVS 3.341	FC(F)O[CH](Cl)C(F)(F)F
OpenEye OEToolkits 1.5.0	[C@H](C(F)(F)F)(OC(F)F)Cl
ACDLabs 10.04	(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane

Name:

1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER;
ISOFLURANE

ZINC:

ZINC000003812960

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).