2-{[2-(trifluoromethyl)phenyl]methyl}-1-azabicyclo[2.2.2]octan-3-one

2-{[2-(trifluoromethyl)phenyl]methyl}-1-azabicyclo[2.2.2]octan-3-one

CAS: 477848-23-0

Formula: C15H16F3NO

SMILES: FC(F)(F)C1=C(CC2N3CCC(CC3)C2=O)C=CC=C1

IUPAC: 2-{[2-(trifluoromethyl)phenyl]methyl}-1-azabicyclo[2.2.2]octan-3-one

InChI: InChI=1/C15H16F3NO/c16-15(17,18)12-4-2-1-3-11(12)9-13-14(20)10-5-7-19(13)8-6-10/h1-4,10,13H,5-9H2

Composition: C (63.60%), H (5.69%), F (20.12%), N (4.94%), O (5.65%)

Molar Mass: 283.294

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	283.118398628
Formal Charge	0
FSP3	0.53
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AGOMCSPPRALUCJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.45
Topological Polar Surface Area	20.31
Polarizability	26.25
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	477848-23-0		$51.35-$86.31$51.35$63.37$86.31