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2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide

2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide

CAS: 477888-16-7

Formula: C8H6ClF3N2O

SMILES: NC(=O)CC1=C(Cl)C=C(C=N1)C(F)(F)F

IUPAC: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]acetamide

InChI: InChI=1S/C8H6ClF3N2O/c9-5-1-4(8(10,11)12)3-14-6(5)2-7(13)15/h1,3H,2H2,(H2,13,15)

Composition: C (40.27%), H (2.53%), Cl (14.86%), F (23.89%), N (11.74%), O (6.71%)

Molar Mass: 238.59

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 238.012075
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KUYHPTSOTBSQCO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.44
Topological Polar Surface Area 55.98
Polarizability 17.68
Ring Count 1
Rotatable Bond Count 3

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