| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 15 | No |
Popular Name: 4,4,4-trifluoro-1-(pyridin-2-yl)butane-1,3-dione 4,4,4-trifluoro-1-(pyridin-2-yl)…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1006961-48-3 , 4027-51-4
1,3-Butanedione,4,4,4-trifluoro-1-(2-pyridinyl)-
sodium 1,1,1-trifluoro-4-oxo-4-pyridin-2-ylbut-2-en-2-olate
sodium 4,4,4-trifluoro-3-oxo-1-(pyridin-2-yl)but-1-en-1-olate
| 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) | 1.85 | 4.98 | -44.22 | 0 | 3 | -1 | 53 | 216.138 | 3 | ↓ |
| Ref Reference (pH 7) | 1.40 | 4.92 | -45.32 | 0 | 3 | -1 | 53 | 216.138 | 3 | ↓ |
| Mid Mid (pH 6-8) | 0.66 | 4.93 | -11.76 | 0 | 3 | 0 | 47 | 217.146 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 215 - 217 | Enamine Building Blocks |
| MP | 215...217 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
