2-[(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

2-[(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

CAS: 865659-36-5

Formula: C22H20F3NO2

SMILES: FC(F)(F)C1=CC(COC2=CC=C(C=C3N4CCC(CC4)C3=O)C=C2)=CC=C1

IUPAC: 2-[(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one

InChI: InChI=1S/C22H20F3NO2/c23-22(24,25)18-3-1-2-16(12-18)14-28-19-6-4-15(5-7-19)13-20-21(27)17-8-10-26(20)11-9-17/h1-7,12-13,17H,8-11,14H2

Composition: C (68.21%), H (5.20%), F (14.71%), N (3.62%), O (8.26%)

Molar Mass: 387.402

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	387.144613377
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VDOGNYVDMSOXBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.09
Topological Polar Surface Area	29.54
Polarizability	37.66
Ring Count	4
Rotatable Bond Count	5

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