1,3-Difluoroazulene
PubChem CID: 11446520
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| Compound Synonyms | 1,3-difluoroazulene |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2CCCC2CC1 |
| Deep Smiles | Fcccc-c5ccccc7)))))))F |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Scaffold Graph Node Level | C1CCC2CCCC2CC1 |
| Classyfire Subclass | Olefins |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 142.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-difluoroazulene |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 3.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H6F2 |
| Scaffold Graph Node Bond Level | c1ccc2cccc-2cc1 |
| Inchi Key | QRLFAXXSBBEEED-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,3-difluoroazulene |
| Esol Class | Soluble |
| Functional Groups | cF |
| Compound Name | 1,3-Difluoroazulene |
| Exact Mass | 164.044 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 164.044 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 164.15 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H6F2/c11-9-6-10(12)8-5-3-1-2-4-7(8)9/h1-6H |
| Smiles | C1=CC=C2C(=C(C=C2F)F)C=C1 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9770972795006