Eicosyl trifluoroacetate
PubChem CID: 14574254
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| Compound Synonyms | Eicosyl trifluoroacetate, eicosyltrifluoroacetate, 1-Eicosanol, trifluoroacetate, Eicosyl 2,2,2-trifluoroacetate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 330.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | icosyl 2,2,2-trifluoroacetate |
| Prediction Hob | 0.0 |
| Xlogp | 11.0 |
| Molecular Formula | C22H41F3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JELHWUPDJFSSDO-UHFFFAOYSA-N |
| Fcsp3 | 0.9545454545454546 |
| Logs | -7.198 |
| Rotatable Bond Count | 20.0 |
| Logd | 4.64 |
| Compound Name | Eicosyl trifluoroacetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 394.306 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 394.306 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 394.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -7.8491843999999995 |
| Inchi | InChI=1S/C22H41F3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-21(26)22(23,24)25/h2-20H2,1H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCOC(=O)C(F)(F)F |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients