| CID | 11326715 |
|---|---|
| CAS | 841205-47-8 |
| InChI | InChI=1S/C19H14F3N3O3/c1-18(27, 11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20, 21)22/h2-8, 27H, 11H2, 1H3, (H, 25, 26)/t18-/m0/s1 |
| InChIKey | JNGVJMBLXIUVRD-SFHVURJKSA-N |
| Isomeric SMILES | C[C@](COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O |
| Canonical SMILES | CC(COC1=CC=C(C=C1)C#N)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O |
| IUPAC Name | (2S)-3-(4-cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide |
| Molecular Formula | C19H14F3N3O3 |
| Molecular Weight | 389.3 |
| Monoisotopic Mass | 389.09872580 |
| Polar Area | 106 |
| Complexity | 658 |
| XLogP | 2.7 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Physical Appearance | Clear Liquid |
| Stability | Room Temperature |
