| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: 6-Trifluoromethyloxindole 6-Trifluoromethyloxindole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1735-89-3 , [1735-89-3]
6-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
6-(Trifluoromethyl)-2-oxindole
6-(Trifluoromethyl)indolin-2-one
| 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) | 1.98 | 3.94 | -7.03 | 1 | 2 | 0 | 29 | 201.147 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.94 | 2.63 | -38.01 | 1 | 2 | -1 | 39 | 200.139 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| melting_point | 186 - 188 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0156603A2; EP0164860A1; EP0175551A1; EP0244918A2; US4556672; US4569942; US4652658; US4658037; US4665194; US4690943; US4721712; US4730004; US4752609; US4791131; US4808601; US6051593; US6114371; US6130238; WO1996023770A1; WO1998050356A1; WO1999048868A2; W | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
