DJC
Summary
| Name: | 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal |
| Formula: | C16 H12 F4 O |
| Formal charge: | 0 |
| Formula weight: | 296.259 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H12F4O/c17-13-7-8-15(16(18,19)20)14(10-13)12-5-3-11(4-6-12)2-1-9-21/h3-10H,1-2H2 |
| InChIKey | InChI | 1.03 | XUJWNTWFPWMSEV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F |
| SMILES | CACTVS | 3.385 | Fc1ccc(c(c1)c2ccc(CCC=O)cc2)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CCC=O)c2cc(ccc2C(F)(F)F)F |
