| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 6th, 2013 | 0 | No |
Popular Name: 5-[4-(Trifluoromethyl)phenyl]cyclohexane-1,3-dione 5-[4-(Trifluoromethyl)phenyl]cyc…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 55579-69-6 , [55579-69-6]
3-Hydroxy-5-(4-trifluoromethyl-phenyl)-cyclohex-2-enone
3-hydroxy-5-[4-(trifluoromethyl)phenyl]cyclohex-2-en-1-one
5-(4-(Trifluoromethyl)phenyl)cyclohexane-1,3-dione
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Mid Mid (pH 6-8) | 3.03 | 5.58 | -10.8 | 1 | 2 | 0 | 37 | 256.223 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.29 | 7.5 | -11.95 | 0 | 2 | 0 | 34 | 256.223 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.