| Formula | F3P |
| MW | 87.97 |
| InChIKey | WKFBZNUBXWCCHG-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 | 1 |
| Chiral_Centers | 0 |
| ONatoms | 0 |
| HB_Donor | 0 |
| HB_Acceptor | 0 |
| OpenEye_HB_Donors | 0 |
| OpenEye_HB_Acceptors | 0 |
| Lipinski_HB_Donors | 0 |
| Lipinski_HB_Acceptors | 0 |
| Lipinski_Violations | 0 |
| XLogP3 | 0 |
| XLogP | 1.62 |
| logP | 2.1218 |
| PSA | 13.59 |
| MR | 10.244 |
| ABS | 0.55 |
| Solubility | insoluble |
| Aggregator | Pass |
| PM7_Heat_of_Formation_kcal_per_mol | -238.0481 |
| PM7_Total_Energy_ev | -1576.68456 |
| PM7_Electronic_Energy_ev | -2911.10964 |
| PM7_Dipole_Debye | 1.9521 |
| PM7_Point_Group | C3v |
| PM7_HOMO_Energy_ev | -11.547 |
| PM7_LUMO_Energy_ev | -0.545 |
| PM7_COSMO_Area_square_ang | 85.66 |
| PM7_COSMO_Volue_cubic_ang | 68.78 |
| PM7_Electron_Affinity_ev | 0.545 |
| PM7_Ionization_Energy_ev | 11.547 |
| PM7_Energy_Gap_ev | 11.002 |
| PM7_Global_Hardness_ev | 5.501 |
| PM7_Global_Softness_ev | 0.18178512997636792 |
| PM7_Chemical_Potential_ev | -6.046 |
| PM7_Electronigativity_ev | 6.046 |
| PM7_Back_Donation_Energy_ev | -1.37525 |
| PM7_Electrophilicity_ev | 3.3224973641156152 |
| OPENEYE_Name | trifluorophosphane |
| SMILES | FP(F)F |
| Canonical_SMILES | FP(F)F |
| InChI | 1/F3P/c1-4(2)3 |
| InChI_3D | 1S/F3P/c1-4(2)3 |
| AuxInfo | 1/0/N:1,2,3,4/E:(1,2,3)/rA:4nFFFP/rB:;;s1s2s3;/rC:;1.5,.866,0;1.5,-.866,0;1,0,0; |
| Duplicates | ChEBI30205 |
| mol2_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30205.mol2 |
| pdbqt_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30205.pdbqt |
| sdf_Path | /CCDB/ChEBI/Database/Compound-0000000000-0000049999/Compound-0000030000-0000030249/ChEBI30205.sdf |