Common name
chloro(fluoro)methane
IUPAC name
chloro(fluoro)methane
SMILES
ClCF
Common name
chloro(fluoro)methane
IUPAC name
chloro(fluoro)methane
SMILES
ClCF
INCHI
InChI=1S/CH2ClF/c2-1-3/h1H2
FORMULA
CH2ClF
Common name
chloro(fluoro)methane
IUPAC name
chloro(fluoro)methane
Molecular weight
68.478
clogP
1.478
clogS
-1.031
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| 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 |
|---|---|---|---|---|---|
| 3f78_ligand_1_0.mol2 | 3f78 | 0.4 | -5.88 | FC(F)(F)CCl | 6 |
| 4z90_ligand_1_0.mol2 | 4z90 | 0.4 | -5.55 | C(Cl)C(F)(F)F | 6 |
| 4yas_ligand_frag_0.mol2 | 4yas | 0.333333 | -5.97 | C(Cl)(Cl)Cl | 4 |
| 4mgd_ligand_frag_2.mol2 | 4mgd | 0.333333 | -5.90 | C(Cl)(Cl)Cl | 4 |
| 4zow_ligand_frag_0.mol2 | 4zow | 0.333333 | -5.50 | C(Cl)Cl | 3 |
| 1ct8_ligand_frag_1.mol2 | 1ct8 | 0.333333 | -5.48 | ClCCl | 3 |
| 2gh6_ligand_frag_9.mol2 | 2gh6 | 0.333333 | -5.41 | C(F)(F)F | 4 |
| 4m3d_ligand_frag_8.mol2 | 4m3d | 0.333333 | -5.38 | C(F)(F)F | 4 |
612 ,
62
