1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

CAS: 56617-43-7

Formula: C11H10FNO3

SMILES: OC(=O)C1CN(C(=O)C1)C1=CC=C(F)C=C1

IUPAC: 1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C11H10FNO3/c12-8-1-3-9(4-2-8)13-6-7(11(15)16)5-10(13)14/h1-4,7H,5-6H2,(H,15,16)

Composition: C (59.19%), H (4.52%), F (8.51%), N (6.28%), O (21.50%)

Molar Mass: 223.203

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	223.064471349
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JYYMPQMWOVXMDK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.23
Topological Polar Surface Area	57.61
Polarizability	20.31
Ring Count	2
Rotatable Bond Count	2

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Life Chemicals USA, Inc.

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