1-{4-[4-amino-2-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone

1-{4-[4-amino-2-(trifluoromethyl)phenyl]piperazin-1-yl}ethanone

CAS: 914348-88-2

Formula: C13H16F3N3O

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

IUPAC: 1-{4-[4-amino-2-(trifluoromethyl)phenyl]piperazin-1-yl}ethan-1-one

InChI: InChI=1S/C13H16F3N3O/c1-9(20)18-4-6-19(7-5-18)12-3-2-10(17)8-11(12)13(14,15)16/h2-3,8H,4-7,17H2,1H3

Composition: C (54.35%), H (5.61%), F (19.84%), N (14.63%), O (5.57%)

Molar Mass: 287.286

Atom Count: 36

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.124546636
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BLHJDWJKRCLDCC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.48
Topological Polar Surface Area	49.57
Polarizability	25.31
Ring Count	2
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	914348-88-2		$163.63-$1,067.77$163.63$350.63$568.48$1,067.77