IUPAC name
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
SMILES
c1cc(cc(c1)N1CC(CCl)C(C1=O)Cl)C(F)(F)F
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
flurochloridone
IUPAC name
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
SMILES
c1cc(cc(c1)N1CC(CCl)C(C1=O)Cl)C(F)(F)F
INCHI
InChI=1S/C12H10Cl2F3NO/c13-5-7-6-18(11(19)10(7)14)9-3-1-2-8(4-9)12(15,16)17/h1-4,7,10H,5-6H2
FORMULA
C12H10Cl2F3NO
Common name
flurochloridone
IUPAC name
3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]-2-pyrrolidinone
Molecular weight
312.115
clogP
3.765
clogS
-4.172
HBond Acceptor
1
HBond Donor
0
Total Polar Surface Area
20.31
Number of Rings
2
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00162 | trifluoromethylbenzene |
|
c1ccc(cc1)C(F)(F)F | 0.0172 |
| FDBF00177 | fluoroform |
|
FC(F)F | 0.0704 |
| FDBF06186 | (3S)-3-chloro-1-phenylpyrrolidin-2-one |
|
N1(C(=O)[C@H](CC1)Cl)c1ccccc1 | 0.0003 |
| FDBF06187 | (3S,4S)-3-chloro-4-(chloromethyl)pyrrolidin-2-one |
|
N1C(=O)[C@H]([C@@H](C1)CCl)Cl | 0.0003 |
| FDBF06188 | (3S,4S)-3-chloro-4-(chloromethyl)-1-phenylpyrrolidin-2-one |
|
N1(C(=O)[C@H]([C@@H](C1)CCl)Cl)c1ccccc1 | 0.0003 |
| FDBF06189 | (3S)-3-chloropyrrolidin-2-one |
|
N1C(=O)[C@H](CC1)Cl | 0.0003 |
7 ,
1
