ethyl 2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ylidene}acetate

ethyl 2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ylidene}acetate

CAS: 250713-98-5

Formula: C15H16ClF3N2O2

SMILES: CCOC(=O)C=C1CCN(CC1)C1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: ethyl 2-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-ylidene}acetate

InChI: InChI=1S/C15H16ClF3N2O2/c1-2-23-13(22)7-10-3-5-21(6-4-10)14-12(16)8-11(9-20-14)15(17,18)19/h7-9H,2-6H2,1H3

Composition: C (51.66%), H (4.62%), Cl (10.16%), F (16.34%), N (8.03%), O (9.18%)

Molar Mass: 348.75

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	348.08524
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GXCHGMIEDRGPIS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.72
Topological Polar Surface Area	42.43
Polarizability	30.08
Ring Count	2
Rotatable Bond Count	5

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95%	<2 Days	250713-98-5		$51.35-$524.40$51.35$63.37$86.31$524.40