1-((perfluorophenyl)methyl)pyridin-1-ium | SBID = 2061 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C12H7F5N+ | ||
| M / g/mol: | 260.182696 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: typical guest, charged
- Name: 1-((perfluorophenyl)methyl)pyridin-1-ium
- Preferred Abbreviation: 5FBPy
- IUPAC Name:
- CAS:
- CID: -888
- InChiKey: NJGFLEUECLEGQC-UHFFFAOYSA-N
- InChi: InChI=1S/C12H7F5N/c13-8-7(6-18-4-2-1-3-5-18)9(14)11(16)12(17)10(8)15/h1-5H,6H2/q+1
- CanoSmiles: Fc1c(C[n+]2ccccc2)c(F)c(c(c1F)F)F
- IsoSmiles: FC1=C(F)C(F)=C(F)C(F)=C1C[N+]2=CC=CC=C2
