| Formula | F2O |
| MW | 54 |
| InChIKey | UJMWVICAENGCRF-UHFFFAOYNA-N |
| Entry_Date | 2023-11-01 |
| Net_Charge | 0 |
| Number_Atoms | 3 |
| Number_Heavy_Atoms | 3 |
| Number_Rings | 0 |
| Number_Bonds | 2 |
| Rotat_Bonds | 0 |
| Unbranched_Chain | 3 |
| Chiral_Centers | 0 |
| ONatoms | 1 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 1 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 1 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 0.47 |
| logP | 0.772 |
| PSA | 9.23 |
| MR | 3.301 |
| ABS | 0.55 |
| Solubility | poorly |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | 6.18164 |
| PM7_Total_Energy_ev | -1220.27586 |
| PM7_Electronic_Energy_ev | -2207.47816 |
| PM7_Dipole_Debye | 0.11108 |
| PM7_Point_Group | C2v |
| PM7_HOMO_Energy_ev | -11.873 |
| PM7_LUMO_Energy_ev | -0.822 |
| PM7_COSMO_Area_square_ang | 66.17 |
| PM7_COSMO_Volue_cubic_ang | 46.6 |
| PM7_Electron_Affinity_ev | 0.822 |
| PM7_Ionization_Energy_ev | 11.873 |
| PM7_Energy_Gap_ev | 11.051 |
| PM7_Global_Hardness_ev | 5.5255 |
| PM7_Global_Softness_ev | 0.1809790969143064 |
| PM7_Chemical_Potential_ev | -6.3475 |
| PM7_Electronigativity_ev | 6.3475 |
| PM7_Back_Donation_Energy_ev | -1.381375 |
| PM7_Electrophilicity_ev | 3.645892340059723 |
| OPENEYE_Name | fluoro hypofluorite |
| SMILES | O(F)F |
| Canonical_SMILES | FOF |
| InChI | 1/F2O/c1-3-2 |
| InChI_3D | 1S/F2O/c1-3-2 |
| AuxInfo | 1/0/N:2,3,1/E:(1,2)/rA:3nOFF/rB:s1;s1;/rC:;1,0,0;-.5,-.866,0; |
| Duplicates | ChEBI30494 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30494.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30494.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030250-0000030499/ChEBI30494.sdf |