1-Fluorododecane
PubChem CID: 9548
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| Compound Synonyms | 1-FLUORODODECANE, 334-68-9, Dodecyl fluoride, Dodecane, 1-fluoro-, n-Dodecyl fluoride, EINECS 206-381-1, BRN 1738884, DTXSID6074706, 4-01-00-00500 (Beilstein Handbook Reference), 1-fluoro-dodecane, 1-fluoranyldodecane, 1-Fluorododecane, 98%, SCHEMBL318325, DTXCID0038679, MFCD00013580, AKOS007930497, MFCD000013580, AS-81226, DB-048416, NS00041552, G77381, A821788, 206-381-1 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCF |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organofluorides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 81.2 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-fluorododecane |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 6.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H25F |
| Inchi Key | YHYBNVZCQIDLSQ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 10.0 |
| Synonyms | 1-fluorododecane |
| Esol Class | Moderately soluble |
| Functional Groups | CF |
| Compound Name | 1-Fluorododecane |
| Exact Mass | 188.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 188.32 |
| 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/C12H25F/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3 |
| Smiles | CCCCCCCCCCCCF |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Alternanthera Sessilis (Plant) Rel Props:Reference:https://doi.org/10.7324/japs.2016.601222 - 2. Outgoing r'ship
FOUND_INto/from Rhizophora Apiculata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748 - 3. Outgoing r'ship
FOUND_INto/from Rhizophora Mucronata (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.909748