Common name
difluoromethoxyethane
IUPAC name
difluoromethoxyethane
SMILES
O(CC)C(F)F
Common name
difluoromethoxyethane
IUPAC name
difluoromethoxyethane
SMILES
O(CC)C(F)F
INCHI
InChI=1S/C3H6F2O/c1-2-6-3(4)5/h3H,2H2,1H3
FORMULA
C3H6F2O
Common name
difluoromethoxyethane
IUPAC name
difluoromethoxyethane
Molecular weight
96.076
clogP
0.993
clogS
-0.933
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
9.23
Number of Rings
0
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03076 | tetraconazole |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 2v96_ligand_3_16.mol2 | 2v96 | 0.571429 | -5.22 | C(F)(F)(F)COC | 7 |
| 3f78_ligand.mol2 | 3f78 | 0.5 | -6.22 | FC(F)(F)[C@H](Cl)OC(F)F | 11 |
| 4z90_ligand.mol2 | 4z90 | 0.5 | -5.73 | C([C@H](OC(F)F)Cl)(F)(F)F | 11 |
| 2v96_ligand_4_10.mol2 | 2v96 | 0.5 | -5.40 | C(F)(F)(F)COCC | 8 |
| 2v96_ligand_5_0.mol2 | 2v96 | 0.5 | -5.40 | C(F)(F)(COCC)F | 8 |
| 4msu_ligand_frag_3.mol2 | 4msu | 0.461538 | -5.55 | C(O)C(F)(F)F | 6 |
263 ,
27
