Common name
1-ethoxy-1,1,2,2-tetrafluoroethane
IUPAC name
1-ethoxy-1,1,2,2-tetrafluoroethane
SMILES
O(CC)C(C(F)F)(F)F
Common name
1-ethoxy-1,1,2,2-tetrafluoroethane
IUPAC name
1-ethoxy-1,1,2,2-tetrafluoroethane
SMILES
O(CC)C(C(F)F)(F)F
INCHI
InChI=1S/C4H6F4O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
FORMULA
C4H6F4O
Common name
1-ethoxy-1,1,2,2-tetrafluoroethane
IUPAC name
1-ethoxy-1,1,2,2-tetrafluoroethane
Molecular weight
146.083
clogP
1.864
clogS
-1.605
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 |
|---|---|---|---|---|---|
| 2v96_ligand_4_10.mol2 | 2v96 | 0.764706 | -5.40 | C(F)(F)(F)COCC | 8 |
| 2v96_ligand_5_0.mol2 | 2v96 | 0.764706 | -5.40 | C(F)(F)(COCC)F | 8 |
| 2v96_ligand_3_16.mol2 | 2v96 | 0.647059 | -5.22 | C(F)(F)(F)COC | 7 |
| 3f78_ligand.mol2 | 3f78 | 0.56 | -6.22 | FC(F)(F)[C@H](Cl)OC(F)F | 11 |
| 4z90_ligand.mol2 | 4z90 | 0.56 | -5.73 | C([C@H](OC(F)F)Cl)(F)(F)F | 11 |
| 4msu_ligand_frag_3.mol2 | 4msu | 0.470588 | -5.55 | C(O)C(F)(F)F | 6 |
101 ,
11
