| Formula | F4N |
| MW | 90.01 |
| InChIKey | LDOAUKNENSIPAZ-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 1 |
| Number_Atoms | 5 |
| Number_Heavy_Atoms | 5 |
| Number_Rings | 0 |
| Number_Bonds | 4 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 1 |
| Chiral_Centers | 0 |
| ONatoms | 1 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 0 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 1 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 1.56 |
| logP | 1.3412 |
| PSA | 0 |
| MR | 4.6924 |
| ABS | 0.55 |
| Solubility | insoluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 196.46374 |
| PM7_Total_Energy_ev | -2032.11914 |
| PM7_Electronic_Energy_ev | -4904.1924 |
| PM7_Dipole_Debye | 0.00042 |
| PM7_Point_Group | Td |
| PM7_HOMO_Energy_ev | -23.292 |
| PM7_LUMO_Energy_ev | -8.825 |
| PM7_COSMO_Area_square_ang | 88.86 |
| PM7_COSMO_Volue_cubic_ang | 70.94 |
| PM7_Electron_Affinity_ev | 8.825 |
| PM7_Ionization_Energy_ev | 23.292 |
| PM7_Energy_Gap_ev | 14.467 |
| PM7_Global_Hardness_ev | 7.2335 |
| PM7_Global_Softness_ev | 0.13824566254233772 |
| PM7_Chemical_Potential_ev | -16.0585 |
| PM7_Electronigativity_ev | 16.0585 |
| PM7_Back_Donation_Energy_ev | -1.808375 |
| PM7_Electrophilicity_ev | 17.825079301168177 |
| OPENEYE_Name | tetrafluoroammonium |
| SMILES | [N+](F)(F)(F)F |
| Canonical_SMILES | F[N+](F)(F)F |
| InChI | 1/F4N/c1-5(2,3)4/q+1 |
| InChI_3D | 1S/F4N/c1-5(2,3)4/q+1 |
| AuxInfo | 1/0/N:2,3,4,5,1/E:(1,2,3,4)/CRV:5+1/rA:5nN+FFFF/rB:s1;s1;s1;s1;/rC:;1,0,0;0,-1,0;0,1,0;-1,0,0; |
| Duplicates | ChEBI30233 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30233.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30233.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30233.sdf |