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1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

CAS: 96449-66-0

Formula: C12H14FNO2

SMILES: OCC1CN(CC2=CC=C(F)C=C2)C(=O)C1

IUPAC: 1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one

InChI: InChI=1/C12H14FNO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2

Composition: C (64.56%), H (6.32%), F (8.51%), N (6.27%), O (14.33%)

Molar Mass: 223.247

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 223.100856858
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JBXKWPWEZMUSBG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.29
Topological Polar Surface Area 40.54
Polarizability 22.17
Ring Count 2
Rotatable Bond Count 3

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