1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione
PubChem CID: 11437501
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione, CHEMBL193229, 223707-22-0, PE9A4DX2VX, Benzil-based compound, 12, SCHEMBL2156965, BDBM22734, PD179152, DB-225869, 1,2-Bis(fluoranyl)phenyl)ethane-1,2-dione, 1,2-Bis(3,5-difluorophenyl)-1,2-ethanedione, 1,2-Ethanedione, 1,2-bis(3,5-difluorophenyl)- |
|---|---|
| Topological Polar Surface Area | 34.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 331.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione |
| Prediction Hob | 1.0 |
| Target Id | NPT203, NPT166 |
| Xlogp | 3.3 |
| Molecular Formula | C14H6F4O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZDXXQKFXZDPNLI-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -5.464 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.281 |
| Compound Name | 1,2-Bis(3,5-difluorophenyl)ethane-1,2-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.03 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.03 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 282.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9208904 |
| Inchi | InChI=1S/C14H6F4O2/c15-9-1-7(2-10(16)5-9)13(19)14(20)8-3-11(17)6-12(18)4-8/h1-6H |
| Smiles | C1=C(C=C(C=C1F)F)C(=O)C(=O)C2=CC(=CC(=C2)F)F |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Miltiorrhiza (Plant) Rel Props:Source_db:cmaup_ingredients