Common name
1-(difluoromethoxy)propane
IUPAC name
1-(difluoromethoxy)propane
SMILES
O(CCC)C(F)F
Common name
1-(difluoromethoxy)propane
IUPAC name
1-(difluoromethoxy)propane
SMILES
O(CCC)C(F)F
INCHI
InChI=1S/C4H8F2O/c1-2-3-7-4(5)6/h4H,2-3H2,1H3
FORMULA
C4H8F2O
Common name
1-(difluoromethoxy)propane
IUPAC name
1-(difluoromethoxy)propane
Molecular weight
110.103
clogP
1.302
clogS
-1.361
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03076 | tetraconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4lxk_ligand_3_14.mol2 | 4lxk | 0.578947 | -5.38 | FC(F)(F)CCOC | 8 |
| 2yiu_ligand_3_131.mol2 | 2yiu | 0.533333 | -5.97 | C(C)(C)COC | 6 |
| 4gj7_ligand_3_219.mol2 | 4gj7 | 0.533333 | -5.93 | O(C)CCC | 5 |
| 2v0z_ligand_3_0.mol2 | 2v0z | 0.533333 | -5.90 | C(C)COC | 5 |
| 2yiu_ligand_3_159.mol2 | 2yiu | 0.533333 | -5.89 | C(C)(C)COC | 6 |
| 4ryc_ligand_3_169.mol2 | 4ryc | 0.533333 | -5.89 | C(C)COC | 5 |
| 4rz1_ligand_3_209.mol2 | 4rz1 | 0.533333 | -5.88 | O(C)CCC | 5 |
| 2yiu_ligand_3_155.mol2 | 2yiu | 0.533333 | -5.87 | O(C)CC(C)C | 6 |
| 4ryg_ligand_3_267.mol2 | 4ryg | 0.533333 | -5.87 | CCCOC | 5 |
| 3gw5_ligand_3_85.mol2 | 3gw5 | 0.533333 | -5.84 | C(OC)CC | 5 |
118 ,
12
