1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonitrile

1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonitrile

CAS: 1017458-39-7

Formula: C11H9FN2O

SMILES: FC1=CC=C(C=C1)N1CC(CC1=O)C#N

IUPAC: 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonitrile

InChI: InChI=1/C11H9FN2O/c12-9-1-3-10(4-2-9)14-7-8(6-13)5-11(14)15/h1-4,8H,5,7H2

Composition: C (64.70%), H (4.44%), F (9.30%), N (13.72%), O (7.83%)

Molar Mass: 204.204

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	204.069891081
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MWHBPNVVWURIDD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.21
Topological Polar Surface Area	44.1
Polarizability	19.56
Ring Count	2
Rotatable Bond Count	1

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90%	<2 Days	1017458-39-7		$51.35-$86.31$51.35$63.37$86.31