Common name
1,1,2,2-tetrafluoro-1-methoxyethane
IUPAC name
1,1,2,2-tetrafluoro-1-methoxyethane
SMILES
O(C)C(C(F)F)(F)F
Common name
1,1,2,2-tetrafluoro-1-methoxyethane
IUPAC name
1,1,2,2-tetrafluoro-1-methoxyethane
SMILES
O(C)C(C(F)F)(F)F
INCHI
InChI=1S/C3H4F4O/c1-8-3(6,7)2(4)5/h2H,1H3
FORMULA
C3H4F4O
Common name
1,1,2,2-tetrafluoro-1-methoxyethane
IUPAC name
1,1,2,2-tetrafluoro-1-methoxyethane
Molecular weight
132.057
clogP
1.645
clogS
-1.187
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 | 0.785714 | -5.22 | C(F)(F)(F)COC | 7 |
| 2v96_ligand_4_10.mol2 | 2v96 | 0.6875 | -5.40 | C(F)(F)(F)COCC | 8 |
| 2v96_ligand_5_0.mol2 | 2v96 | 0.6875 | -5.40 | C(F)(F)(COCC)F | 8 |
| 4msu_ligand_frag_3.mol2 | 4msu | 0.571429 | -5.55 | C(O)C(F)(F)F | 6 |
| 6gch_ligand_1_3.mol2 | 6gch | 0.571429 | -5.46 | C(O)C(F)(F)F | 6 |
| 4pf3_ligand_1_2.mol2 | 4pf3 | 0.571429 | -5.43 | C(O)C(F)F | 5 |
107 ,
11
