2-(azetidin-3-yl)quinoline; bis(trifluoroacetic acid)

2-(azetidin-3-yl)quinoline; bis(trifluoroacetic acid)

Formula: C16H14F6N2O4

SMILES: OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.C1NCC1C1=NC2=CC=CC=C2C=C1

IUPAC: 2-(azetidin-3-yl)quinoline; bis(trifluoroacetic acid)

InChI: InChI=1S/C12H12N2.2C2HF3O2/c1-2-4-11-9(3-1)5-6-12(14-11)10-7-13-8-10;23-2(4,5)1(6)7/h1-6,10,13H,7-8H2;2(H,6,7)

Composition: C (46.61%), H (3.42%), F (27.65%), N (6.79%), O (15.52%)

Molar Mass: 412.288

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	412.085775917
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	QSXDKXNMLMJWLA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.49
Topological Polar Surface Area	24.92
Polarizability	23.29
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C16H14F6N2O4		Quote Only