3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(morpholin-4-yl)propan-1-one

3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(morpholin-4-yl)propan-1-one

CAS: 337920-45-3

Formula: C13H14ClF3N2O2

SMILES: FC(F)(F)C1=CC(Cl)=C(CCC(=O)N2CCOCC2)N=C1

IUPAC: 3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1-(morpholin-4-yl)propan-1-one

InChI: InChI=1S/C13H14ClF3N2O2/c14-10-7-9(13(15,16)17)8-18-11(10)1-2-12(20)19-3-5-21-6-4-19/h7-8H,1-6H2

Composition: C (48.38%), H (4.37%), Cl (10.99%), F (17.66%), N (8.68%), O (9.92%)

Molar Mass: 322.71

Atom Count: 35

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	322.0695899
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZUDNDJPXHAKVFW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.85
Topological Polar Surface Area	42.43
Polarizability	26.73
Ring Count	2
Rotatable Bond Count	4

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