3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

CAS: 383148-68-3

Formula: C17H9F6N3O

SMILES: FC(F)(F)C1=CC=CC(OC2=NC(=NN=C2C(F)(F)F)C2=CC=CC=C2)=C1

IUPAC: 3-phenyl-6-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazine

InChI: InChI=1S/C17H9F6N3O/c18-16(19,20)11-7-4-8-12(9-11)27-15-13(17(21,22)23)25-26-14(24-15)10-5-2-1-3-6-10/h1-9H

Composition: C (53.00%), H (2.35%), F (29.59%), N (10.91%), O (4.15%)

Molar Mass: 385.269

Atom Count: 36

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	385.0649809
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VVCKCUMUZCJUSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.13
Topological Polar Surface Area	47.9
Polarizability	30.67
Ring Count	3
Rotatable Bond Count	5

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