Q49
- Molecular formula
- C11 H12 F N O2
- Molecular weight (g/mol)
- 209.22
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (3S)-3-(3-fluorophenoxy)-1-methylpyrrolidin-2-one
- SMILES
- CN1CCC(C1=O)Oc2cccc(c2)F
- Isomeric SMILES
- CN1CC[C@@H](C1=O)Oc2cccc(c2)F
- InChI
- InChI=1S/C11H12FNO2/c1-13-6-5-10(11(13)14)15-9-4-2-3-8(12)7-9/h2-4,7,10H,5-6H2,1H3
- InChIKey
- JWLJWMCLUCDWSD-UHFFFAOYSA-N
Chemical & physical properties
- HBA
- 2
- HBD
- 0
- TPSA (Ų)
- 29.54
- cLogP
- 1.44
- Chiral atoms
- 1
- Molar refractivity
- 53.07
- Rings
- 2
- Aromatic rings
- 1
- Fraction Csp³
- 0.36
- Formal charge
- 0
Calculated properties
QED0.737
NPScore-0.183644051
SAScore7.581238677