| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 18 | Yes |
Popular Name: 5-[4-(Trifluoromethyl)phenyl]cyclohexane-1,3-dione 5-[4-(Trifluoromethyl)phenyl]cyc…
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CAS Number: 55579-69-6
3-Hydroxy-5-(4-trifluoromethyl-phenyl)-cyclohex-2-enone
| 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 |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.03 | 7.3 | -39.9 | 0 | 2 | -1 | 40 | 255.215 | 2 | ↓ |
| Mid Mid (pH 6-8) | 3.03 | 7.45 | -39.76 | 0 | 2 | -1 | 40 | 255.215 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 97% | Fluorochem |
