Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help

A1B6P

Summary
Name:(6R)-6-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
Formula:C15 H13 F O3
Formal charge:0
Formula weight:260.26 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(6R)-6-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid
OpenEye OEToolkits3.1.0.0(6~{R})-6-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzofuran-3-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52Fc1ccccc1C1Cc2occ(c2CC1)C(=O)O
InChIInChI1.06InChI=1S/C15H13FO3/c16-13-4-2-1-3-10(13)9-5-6-11-12(15(17)18)8-19-14(11)7-9/h1-4,8-9H,5-7H2,(H,17,18)/t9-/m1/s1
InChIKeyInChI1.06CLOAJUWCOFMLJD-SECBINFHSA-N
SMILES_CANONICALCACTVS3.385OC(=O)c1coc2C[C@@H](CCc12)c3ccccc3F
SMILESCACTVS3.385OC(=O)c1coc2C[CH](CCc12)c3ccccc3F
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1ccc(c(c1)[C@@H]2CCc3c(coc3C2)C(=O)O)F
SMILESOpenEye OEToolkits3.1.0.0c1ccc(c(c1)C2CCc3c(coc3C2)C(=O)O)F

253795

PDB entries from 2026-05-20

PDB statisticsPDBj update infoContact PDBjnumon