Common name
difluoromethoxy(difluoro)methane
IUPAC name
difluoromethoxy(difluoro)methane
SMILES
FC(F)OC(F)F
Common name
difluoromethoxy(difluoro)methane
IUPAC name
difluoromethoxy(difluoro)methane
SMILES
FC(F)OC(F)F
INCHI
InChI=1S/C2H2F4O/c3-1(4)7-2(5)6/h1-2H
FORMULA
C2H2F4O
Common name
difluoromethoxy(difluoro)methane
IUPAC name
difluoromethoxy(difluoro)methane
Molecular weight
118.030
clogP
1.804
clogS
-0.783
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 |
|---|---|---|---|---|
| FDBD00116 | Enflurane |
|
Anesthetics, Inhalation; Anesthetics; Nervous System; Halogenated Hydrocarbons; Anesthetics, General; CYP2E1 Inhibitors; CYP2E1 Inducers; CYP2E1 Inducers (strong); | Used for the induction and maintenance of general anaesthesia during surgery and cesarean section and also used for analgesia during vaginal delivery. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1xmu_ligand_1_3.mol2 | 1xmu | 0.625 | -5.49 | OC(F)F | 4 |
| 1xoq_ligand_1_3.mol2 | 1xoq | 0.625 | -5.48 | C(F)(F)O | 4 |
| 2fm0_ligand_1_0.mol2 | 2fm0 | 0.625 | -5.48 | OC(F)F | 4 |
| 4fnz_ligand_1_10.mol2 | 4fnz | 0.625 | -5.48 | OC(F)(F)F | 5 |
| 2fm5_ligand_1_0.mol2 | 2fm5 | 0.625 | -5.47 | FC(F)O | 4 |
| 3g4l_ligand_1_3.mol2 | 3g4l | 0.625 | -5.44 | OC(F)F | 4 |
656 ,
66
