1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline

1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline

CAS: 338793-09-2

Formula: C16H14ClF3N2

SMILES: FC(F)(F)C1=CC(Cl)=C(CC2NCCC3=C2C=CC=C3)N=C1

IUPAC: 1-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}-1,2,3,4-tetrahydroisoquinoline

InChI: InChI=1/C16H14ClF3N2/c17-13-7-11(16(18,19)20)9-22-15(13)8-14-12-4-2-1-3-10(12)5-6-21-14/h1-4,7,9,14,21H,5-6,8H2

Composition: C (58.81%), H (4.32%), Cl (10.85%), F (17.44%), N (8.57%)

Molar Mass: 326.75

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	326.0797606
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WOCFRHHBLPZBOD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.7
Topological Polar Surface Area	24.92
Polarizability	29.97
Ring Count	3
Rotatable Bond Count	3

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	338793-09-2		$51.35-$524.40$51.35$63.37$86.31$524.40