4,4'-(Hexafluoroisopropylidene)bis(ethenyloxybenzene)
PubChem CID: 18739272
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| Compound Synonyms | 4,4'-(Hexafluoroisopropylidene)bis(ethenyloxybenzene), SCHEMBL14289127, CEPVZCQMBPANHW-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenoxy-4-[2-(4-ethenoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C19H14F6O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CEPVZCQMBPANHW-UHFFFAOYSA-N |
| Fcsp3 | 0.1578947368421052 |
| Logs | -6.269 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.305 |
| Compound Name | 4,4'-(Hexafluoroisopropylidene)bis(ethenyloxybenzene) |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 388.09 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 388.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.326092288888889 |
| Inchi | InChI=1S/C19H14F6O2/c1-3-26-15-9-5-13(6-10-15)17(18(20,21)22,19(23,24)25)14-7-11-16(12-8-14)27-4-2/h3-12H,1-2H2 |
| Smiles | C=COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC=C)(C(F)(F)F)C(F)(F)F |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients