Common name
(1R)-1-chloro-1,2,2-trifluoro-ethane
IUPAC name
(1R)-1-chloro-1,2,2-trifluoro-ethane
SMILES
ClC(F)C(F)F
Common name
(1R)-1-chloro-1,2,2-trifluoro-ethane
IUPAC name
(1R)-1-chloro-1,2,2-trifluoro-ethane
SMILES
ClC(F)C(F)F
INCHI
InChI=1S/C2H2ClF3/c3-1(4)2(5)6/h1-2H/t1-/m0/s1
FORMULA
C2H2ClF3
Common name
(1R)-1-chloro-1,2,2-trifluoro-ethane
IUPAC name
(1R)-1-chloro-1,2,2-trifluoro-ethane
Molecular weight
118.485
clogP
2.197
clogS
-1.379
Frequency
0.0003
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
1
| 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 | 0.818182 | -5.88 | FC(F)(F)CCl | 6 |
| 4z90_ligand_1_0.mol2 | 4z90 | 0.818182 | -5.55 | C(Cl)C(F)(F)F | 6 |
| 3f78_ligand_2_0.mol2 | 3f78 | 0.6 | -6.00 | O[C@H](C(F)(F)F)Cl | 7 |
| 4z90_ligand_2_0.mol2 | 4z90 | 0.6 | -5.64 | [C@@H](Cl)(C(F)(F)F)O | 7 |
| 2jst_ligand.mol2 | 2jst | 0.5625 | -6.41 | FC(F)(F)[C@@H](Br)Cl | 8 |
| 5ddf_ligand_1_1.mol2 | 5ddf | 0.545455 | -5.51 | FC(F)(F)C(F)F | 7 |
| 4j03_ligand_1_0.mol2 | 4j03 | 0.545455 | -5.48 | C(F)(F)C(F)(F)F | 7 |
| 1ad8_ligand_1_9.mol2 | 1ad8 | 0.545455 | -5.36 | C(F)(F)C(F)(F)F | 7 |
101 ,
11
