(E)-6,6,7,7,8,8,9,9-octafluoro-1-(furan-2-yl)non-1-ene-3,5-dione
Formula:C13H8O3F8
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-6,6,7,7,8,8,9,9-octafluoro-1-(furan-2-yl)non-1-ene-3,5-dione is a drug-like molecule.
| MolName | (E)-6,6,7,7,8,8,9,9-octafluoro-1-(furan-2-yl)non-1-ene-3,5-dione |
| MolecularFormula | C13H8O3F8 |
| Smiles | O=C(CC(/C=C/c1ccco1)=O)C(C(C(C(F)F)(F)F)(F)F)(F)F |
| InChI | InChI=1S/C13H8F8O3/c14-10(15)12(18,19)13(20,21)11(16,17)9(23)6-7(22)3-4-8-2-1-5-24-8/h1-5,10H,6H2 |
| InChIK | QITXVNIIEYAKKH-UHFFFAOYSA-N |
| TotalMolweight | 364.188 |
| Molweight | 364.188 |
| MonoisotopicMass | 364.034569 |
| CLogP | 3.0909 |
| CLogS | -4.945 |
| H Acceptors | 3 |
| TotalSurfaceArea | 233.24 |
| Relative PSA | 0.17231 |
| PolarSurfaceArea | 47.28 |
| Druglikeness | -75.983 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (E)-6,6,7,7,8,8,9,9-octafluoro-1-(furan-2-yl)non-1-ene-3,5-dione | 2 - (E)-6,6,7,7,8,8,9,9-octafluoro-1-(furan-2-yl)non-1-ene-3,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off