N2-hexyl-N4-(4-nitrophenyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

N2-hexyl-N4-(4-nitrophenyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

Formula: C17H21F3N6O3

SMILES: CCCCCCNC1=NC(NC2=CC=C(C=C2)[N+]([O-])=O)=NC(OCC(F)(F)F)=N1

IUPAC: N2-hexyl-N4-(4-nitrophenyl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

InChI: InChI=1S/C17H21F3N6O3/c1-2-3-4-5-10-21-14-23-15(25-16(24-14)29-11-17(18,19)20)22-12-6-8-13(9-7-12)26(27)28/h6-9H,2-5,10-11H2,1H3,(H2,21,22,23,24,25)

Composition: C (49.27%), H (5.11%), F (13.75%), N (20.28%), O (11.58%)

Molar Mass: 414.389

Atom Count: 50

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	414.162723049
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	GVYPGJLXNYAPLZ-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	102.35
Topological Polar Surface Area	115.1
Polarizability	36.28
Ring Count	2
Rotatable Bond Count	12

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H21F3N6O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00