Common name
2,2-difluoroethanol
IUPAC name
2,2-difluoroethanol
SMILES
FC(F)CO
Common name
2,2-difluoroethanol
IUPAC name
2,2-difluoroethanol
SMILES
FC(F)CO
INCHI
InChI=1S/C2H4F2O/c3-2(4)1-5/h2,5H,1H2
FORMULA
C2H4F2O
Common name
2,2-difluoroethanol
IUPAC name
2,2-difluoroethanol
Molecular weight
82.049
clogP
0.670
clogS
-0.202
Frequency
0.0010
HBond Acceptor
1
HBond Donor
1
Total PolarSurface Area
20.23
Number of Rings
0
Rotatable Bond
1
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD01531 | Tafluprost |
|
Prostaglandins, Synthetic; Ophthalmics; Ophthalmologicals; Sensory Organs; Antiglaucoma Preparations and Miotics; Prostaglandin Analogues; | Tafluprost is indicated for reducing elevated intraocular pressure in patients with open-angle glaucoma or ocular hypertension. |
| FDBD02367 | flupoxam |
|
Herbicide | Herbicide |
| FDBD02437 | penoxsulam |
|
Herbicide | Herbicide |
3 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4msu_ligand_frag_3.mol2 | 4msu | 1 | -5.55 | C(O)C(F)(F)F | 6 |
| 6gch_ligand_1_3.mol2 | 6gch | 1 | -5.46 | C(O)C(F)(F)F | 6 |
| 4pf3_ligand_1_2.mol2 | 4pf3 | 1 | -5.43 | C(O)C(F)F | 5 |
| 4zjr_ligand_2_15.mol2 | 4zjr | 1 | -5.40 | C(C(F)(F)F)O | 6 |
| 1hbj_ligand_1_5.mol2 | 1hbj | 1 | -5.39 | C(F)(F)(F)CO | 6 |
| 4d89_ligand_2_0.mol2 | 4d89 | 1 | -5.39 | C(C(F)(F)F)O | 6 |
| 4d8c_ligand_2_0.mol2 | 4d8c | 1 | -5.39 | OCC(F)(F)F | 6 |
| 4lxa_ligand_2_8.mol2 | 4lxa | 1 | -5.38 | C(C(F)(F)F)O | 6 |
152 ,
16
