1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

CAS: 845546-24-9

Formula: C12H12FNO3

SMILES: OC(=O)C1CN(CC2=C(F)C=CC=C2)C(=O)C1

IUPAC: 1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

InChI: InChI=1/C12H12FNO3/c13-10-4-2-1-3-8(10)6-14-7-9(12(16)17)5-11(14)15/h1-4,9H,5-7H2,(H,16,17)

Composition: C (60.76%), H (5.10%), F (8.01%), N (5.90%), O (20.23%)

Molar Mass: 237.23

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	237.080121413
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HLGLVJXDNAWXLZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.07
Topological Polar Surface Area	57.61
Polarizability	22.14
Ring Count	2
Rotatable Bond Count	3

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