Common name
[(2S)-2-fluoropropyl] acetate
IUPAC name
[(2S)-2-fluoropropyl] acetate
SMILES
CC(=O)OC[C@H](C)F
Common name
[(2S)-2-fluoropropyl] acetate
IUPAC name
[(2S)-2-fluoropropyl] acetate
SMILES
CC(=O)OC[C@H](C)F
INCHI
InChI=1S/C5H9FO2/c1-4(6)3-8-5(2)7/h4H,3H2,1-2H3/t4-/m0/s1
FORMULA
C5H9FO2
Common name
[(2S)-2-fluoropropyl] acetate
IUPAC name
[(2S)-2-fluoropropyl] acetate
Molecular weight
120.122
clogP
0.917
clogS
-1.027
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
26.3
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD02809 | flucetosulfuron |
|
Herbicide | Herbicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 1p6d_ligand_3_398.mol2 | 1p6d | 0.695652 | -6.20 | C(OC(=O)C)CC | 7 |
| 4k42_ligand_1_13.mol2 | 4k42 | 0.695652 | -5.59 | C(OC(=O)C)CC | 7 |
| 4k42_ligand_1_14.mol2 | 4k42 | 0.695652 | -5.49 | C(C)COC(=O)C | 7 |
| 4gd6_ligand_2_6.mol2 | 4gd6 | 0.695652 | -5.38 | CC(=O)OCCC | 7 |
| 4mbf_ligand_2_24.mol2 | 4mbf | 0.695652 | -5.34 | C(C)COC(=O)C | 7 |
136 ,
14
