General Information of the Compound
| Compound ID |
CP0447526
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3-methyl-2-(trifluoromethyl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H6F9NO
|
||||||||||||||||||
| Molecular Weight |
351.168
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H6F9NO/c1-5-7(9(23,11(16,17)18)12(19,20)21)3-2-6(4-22)8(5)10(13,14)15/h2-3,23H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKQWXQJQOWSJLP-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound