1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-en-1-one

1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-en-1-one

CAS: 2381059-58-9

Formula: C13H14F3N3O

SMILES: FC(F)(F)C1=CC=C(N=C1)N1CCN(CC1)C(=O)C=C

IUPAC: 1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}prop-2-en-1-one

InChI: InChI=1S/C13H14F3N3O/c1-2-12(20)19-7-5-18(6-8-19)11-4-3-10(9-17-11)13(14,15)16/h2-4,9H,1,5-8H2

Composition: C (54.74%), H (4.95%), F (19.98%), N (14.73%), O (5.61%)

Molar Mass: 285.27

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	285.108896572
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VHRPHFOGWQYPNC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.59
Topological Polar Surface Area	36.44
Polarizability	24.87
Ring Count	2
Rotatable Bond Count	3

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