| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 8 | Yes |
Popular Name: 4,4,4-Trifluorobutyronitrile 4,4,4-Trifluorobutyronitrile
Find On: PubMed — Wikipedia — Google
CAS Numbers: 690-95-9 , [690-95-9]
3,3,3-Trifluoroprop-1-yl cyanide, 4,4,4-Trifluorobutyronitrile
4,4,4-Trifluorobutanenitrile 97%
4,4,4-Trifluorobutyronitrile [690-95-9]; (4-Cyano-1,1,1-trifluoropropane)
| 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) | 0.97 | 3.82 | -6.83 | 0 | 1 | 0 | 24 | 123.077 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 138-140° | Matrix Scientific |
| BP | 139-140° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Warnings | Flammable/Toxic | Matrix Scientific |
| Warnings | TOXIC, FLAMMABLE | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.