4-{[3-(trifluoromethyl)quinoxalin-2-yl]oxy}benzonitrile

4-{[3-(trifluoromethyl)quinoxalin-2-yl]oxy}benzonitrile

CAS: 338773-68-5

Formula: C16H8F3N3O

SMILES: FC(F)(F)C1=NC2=CC=CC=C2N=C1OC1=CC=C(C=C1)C#N

IUPAC: 4-{[3-(trifluoromethyl)quinoxalin-2-yl]oxy}benzonitrile

InChI: InChI=1S/C16H8F3N3O/c17-16(18,19)14-15(22-13-4-2-1-3-12(13)21-14)23-11-7-5-10(9-20)6-8-11/h1-8H

Composition: C (60.96%), H (2.56%), F (18.08%), N (13.33%), O (5.07%)

Molar Mass: 315.255

Atom Count: 31

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	315.061946379
Formal Charge	0
FSP3	0.06
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	JRPPAYHZDCICSF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.33
Topological Polar Surface Area	58.8
Polarizability	29.22
Ring Count	3
Rotatable Bond Count	3

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