| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 2nd, 2006 | 11 | Yes |
Popular Name: 3-(TRIFLUOROMETHYL)CYCLOHEXANOL 3-(TRIFLUOROMETHYL)CYCLOHEXANOL
Find On: PubMed — Wikipedia — Google
CAS Numbers: 454-63-7 , 98-17-9 , [454-63-7]
| 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) | 2.14 | 0.53 | -3.06 | 1 | 1 | 0 | 20 | 168.158 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0418362A1; EP0418362B1 | IBM Patent Data |
| Warnings | IRRITANT | Matrix Scientific |
