benzyl 3-fluoro-4-oxopiperidine-1-carboxylate

benzyl 3-fluoro-4-oxopiperidine-1-carboxylate

CAS: 845256-59-9

Formula: C13H14FNO3

SMILES: FC1CN(CCC1=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-fluoro-4-oxopiperidine-1-carboxylate

InChI: InChI=1/C13H14FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2

Composition: C (62.14%), H (5.62%), F (7.56%), N (5.57%), O (19.10%)

Molar Mass: 251.257

Atom Count: 32

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.095771478
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JECCYYOJLNSUHX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.62
Topological Polar Surface Area	46.61
Polarizability	24.23
Ring Count	2
Rotatable Bond Count	3

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