| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 10th, 2010 | 16 | Yes |
Popular Name: 6,6-Dimethyl-3-(trifluoromethyl)-6,7-dihydro-1H-indazol-4(5H)-one 6,6-Dimethyl-3-(trifluoromethyl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 908111-34-2 , [908111-34-2]
6,6-Dimethyl-1,5,6,7-tetrahydro-3-(trifluoromethyl)-4H-indazol-4-one
6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
6,6-Dimethyl-4-oxo-4,5,6,7-tetrahydro-3-(trifluoromethyl)-1H-indazole
| 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) | 2.61 | 4.36 | -12.6 | 1 | 3 | 0 | 46 | 232.205 | 1 | ↓ |
| Ref Reference (pH 7) | 2.61 | 4.4 | -7.24 | 1 | 3 | 0 | 46 | 232.205 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.61 | 4.24 | -36.94 | 0 | 3 | -1 | 44 | 231.197 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 214 - 216 | KeyOrganics |
| MP | 214-216° | Matrix Scientific |
| Purity | 95% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.
