5,7-dimethyl-6,8-dinitro-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
5,7-dimethyl-6,8-dinitro-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-4H-1-benzopyran-4-one
5,7-dimethyl-6,8-dinitro-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 4022-0041 |
| Compound Name: | 5,7-dimethyl-6,8-dinitro-2-(1,1,2,2,3,3,4,4-octafluorobutyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 464.22 |
| Molecular Formula: | C15 H8 F8 N2 O6 |
| Smiles: | Cc1c2C(C=C(C(C(C(C(F)F)(F)F)(F)F)(F)F)Oc2c(c(C)c1[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3596 |
| logD: | 5.3596 |
| logSw: | -5.4143 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 87.3 |
| InChI Key: | PUYSEWGYYDLEKF-UHFFFAOYSA-N |