Common name
1,1,1-trifluoroethane
IUPAC name
1,1,1-trifluoroethane
SMILES
CC(F)(F)F
Common name
1,1,1-trifluoroethane
IUPAC name
1,1,1-trifluoroethane
SMILES
CC(F)(F)F
INCHI
InChI=1S/C2H3F3/c1-2(3,4)5/h1H3
FORMULA
C2H3F3
Common name
1,1,1-trifluoroethane
IUPAC name
1,1,1-trifluoroethane
Molecular weight
84.040
clogP
1.416
clogS
-1.043
Frequency
0.0072
HBond Acceptor
0
HBond Donor
0
Total PolarSurface Area
0
Number of Rings
0
Rotatable Bond
0
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4m3b_ligand_1_0.mol2 | 4m3b | 1 | -5.90 | FC(F)(F)C | 5 |
| 4m3d_ligand_1_7.mol2 | 4m3d | 1 | -5.90 | CC(F)(F)F | 5 |
| 4m3e_ligand_1_0.mol2 | 4m3e | 1 | -5.90 | CC(F)(F)F | 5 |
| 4m3g_ligand_1_4.mol2 | 4m3g | 1 | -5.86 | C(F)(F)(F)C | 5 |
| 2g71_ligand_1_4.mol2 | 2g71 | 1 | -5.82 | C(F)(F)(F)C | 5 |
| 2hvc_ligand_1_3.mol2 | 2hvc | 1 | -5.64 | CC(F)(F)F | 5 |
127 ,
13
