Common name
1,1,1-trifluoropropane
IUPAC name
1,1,1-trifluoropropane
SMILES
C(C)C(F)(F)F
Common name
1,1,1-trifluoropropane
IUPAC name
1,1,1-trifluoropropane
SMILES
C(C)C(F)(F)F
INCHI
InChI=1S/C3H5F3/c1-2-3(4,5)6/h2H2,1H3
FORMULA
C3H5F3
Common name
1,1,1-trifluoropropane
IUPAC name
1,1,1-trifluoropropane
Molecular weight
98.067
clogP
1.591
clogS
-1.476
Frequency
0.0014
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 |
|---|---|---|---|---|
| FDBD01417 | Cangrelor |
|
Platelet Aggregation Inhibitors; Antithrombotic Agents; Blood and Blood Forming Organs; Platelet Aggregation Inhibitors Excl. Heparin; Purinergic P2Y Receptor Antagonists; | For use as an adjunct to percutaneous coronary intervention (PCI) for reducing the risk of periprocedural myocardial infarction (MI), repeat coronary revascularization, and stent thrombosis (ST) in patients in who have not been treated with a P2Y12 platelet inhibitor and are not being given a glycoprotein IIb/IIIa inhibitor. |
| FDBD02305 | flufenprox |
|
Insecticide | Insecticide |
| FDBD02333 | fluhexafon |
|
Insecticide | Insecticide |
| FDBD02832 | prosulfuron |
|
Herbicide | Herbicide |
4 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_2_0.mol2 | 4m3b | 1 | -6.30 | CCC(F)(F)F | 6 |
| 4m3d_ligand_2_27.mol2 | 4m3d | 1 | -6.30 | CCC(F)(F)F | 6 |
| 4m3e_ligand_2_0.mol2 | 4m3e | 1 | -6.30 | C(C(F)(F)F)C | 6 |
| 4m3g_ligand_2_9.mol2 | 4m3g | 1 | -6.25 | CCC(F)(F)F | 6 |
| 3k3e_ligand_2_5.mol2 | 3k3e | 1 | -6.22 | C(C)(C)C(F)(F)F | 7 |
| 3k3h_ligand_2_5.mol2 | 3k3h | 1 | -6.19 | CC(C(F)(F)F)C | 7 |
| 2g71_ligand_2_9.mol2 | 2g71 | 1 | -6.11 | C(F)(F)(F)CC | 6 |
123 ,
13
