(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one
Formula:C11H7NOF6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one is a drug-like molecule.
| MolName | (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one |
| MolecularFormula | C11H7NOF6 |
| Smiles | O=C(C(F)(F)F)/C=C/Nc1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C11H7F6NO/c12-10(13,14)7-1-3-8(4-2-7)18-6-5-9(19)11(15,16)17/h1-6,18H |
| InChIK | GAADWVYOBUOUJB-UHFFFAOYSA-N |
| TotalMolweight | 283.171 |
| Molweight | 283.171 |
| MonoisotopicMass | 283.043182 |
| CLogP | 2.6549 |
| CLogS | -3.91 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 187.89 |
| Relative PSA | 0.1304 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -32.675 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one | 2 - (E)-1,1,1-trifluoro-4-[4-(trifluoromethyl)anilino]but-3-en-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off