| Formula | F2O2 |
| MW | 70 |
| InChIKey | REAOZOPEJGPVCB-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 4 |
| Number_Heavy_Atoms | 4 |
| Number_Rings | 0 |
| Number_Bonds | 3 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 4 |
| Chiral_Centers | 0 |
| ONatoms | 2 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 2 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 2 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 0.25 |
| logP | 0.7036 |
| PSA | 18.46 |
| MR | 4.386 |
| ABS | 0.55 |
| Solubility | poorly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 17.36318 |
| PM7_Total_Energy_ev | -1513.30308 |
| PM7_Electronic_Energy_ev | -3217.57607 |
| PM7_Dipole_Debye | 0.40307 |
| PM7_Point_Group | C2 |
| PM7_HOMO_Energy_ev | -12.122 |
| PM7_LUMO_Energy_ev | -1.11 |
| PM7_COSMO_Area_square_ang | 80.19 |
| PM7_COSMO_Volue_cubic_ang | 60.21 |
| PM7_Electron_Affinity_ev | 1.11 |
| PM7_Ionization_Energy_ev | 12.122 |
| PM7_Energy_Gap_ev | 11.012 |
| PM7_Global_Hardness_ev | 5.506 |
| PM7_Global_Softness_ev | 0.18162005085361424 |
| PM7_Chemical_Potential_ev | -6.616 |
| PM7_Electronigativity_ev | 6.616 |
| PM7_Back_Donation_Energy_ev | -1.3765 |
| PM7_Electrophilicity_ev | 3.974887032328369 |
| OPENEYE_Name | fluorooxy hypofluorite |
| SMILES | O(OF)F |
| Canonical_SMILES | FOOF |
| InChI | 1/F2O2/c1-3-4-2 |
| InChI_3D | 1S/F2O2/c1-3-4-2 |
| AuxInfo | 1/0/N:3,4,1,2/E:(1,2)(3,4)/rA:4nOOFF/rB:s1;s1;s2;/rC:;1,0,0;-.5,-.866,0;1.5,.866,0; |
| Duplicates | ChEBI47866 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000047750-0000047999/ChEBI47866.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000047750-0000047999/ChEBI47866.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000047750-0000047999/ChEBI47866.sdf |