Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

PFB

Summary
Name:2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
Formula:C7 H3 F5 O
Formal charge:0
Formula weight:198.09 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(pentafluorophenyl)methanol
OpenEye OEToolkits1.5.0(2,3,4,5,6-pentafluorophenyl)methanol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1c(c(F)c(F)c(F)c1F)CO
SMILES_CANONICALCACTVS3.341OCc1c(F)c(F)c(F)c(F)c1F
SMILESCACTVS3.341OCc1c(F)c(F)c(F)c(F)c1F
SMILES_CANONICALOpenEye OEToolkits1.5.0C(c1c(c(c(c(c1F)F)F)F)F)O
SMILESOpenEye OEToolkits1.5.0C(c1c(c(c(c(c1F)F)F)F)F)O
InChIInChI1.03InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKeyInChI1.03PGJYYCIOYBZTPU-UHFFFAOYSA-N

217705

건을2024-03-27부터공개중

PDB statisticsPDBj update infoContact PDBjnumon