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3-chloro-2-(piperidin-4-yloxy)-5-(trifluoromethyl)pyridine

3-chloro-2-(piperidin-4-yloxy)-5-(trifluoromethyl)pyridine

CAS: 1092352-80-1

Formula: C11H12ClF3N2O

SMILES: FC(F)(F)C1=CC(Cl)=C(OC2CCNCC2)N=C1

IUPAC: 3-chloro-2-(piperidin-4-yloxy)-5-(trifluoromethyl)pyridine

InChI: InChI=1S/C11H12ClF3N2O/c12-9-5-7(11(13,14)15)6-17-10(9)18-8-1-3-16-4-2-8/h5-6,8,16H,1-4H2

Composition: C (47.07%), H (4.31%), Cl (12.63%), F (20.31%), N (9.98%), O (5.70%)

Molar Mass: 280.68

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 280.0590252
Formal Charge 0
FSP3 0.55
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DKEQXMXJTFKZCS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.61
Topological Polar Surface Area 34.15
Polarizability 23.29
Ring Count 2
Rotatable Bond Count 3

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