The 1,3-Cyclohexanedione,2-[2-nitro-4-(trifluoromethyl)benzoyl]- is an organic compound with the formula C₁₄H₁₀F₃NO₅. The IUPAC name of this chemical is 2-[2-nitro-4-(trifluoromethyl)benzoyl]cyclohexane-1,3-dione. With the CAS registry number 104206-65-7, it is also named as Nitisinone. The product's category is Miscellaneous Compounds. It is a drug originally developed as an herbicide now used in the treatment of hereditary tyrosinemia type 1.

The other characteristics of 1,3-Cyclohexanedione,2-[2-nitro-4-(trifluoromethyl)benzoyl]- can be summarized as: (1)ACD/LogP: 1.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): -1.12; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 69.1 cm³; (14)Molar Volume: 221.8 cm³; (15)Polarizability: 27.39×10^-24 cm³; (16)Surface Tension: 49 dyne/cm; (17)Enthalpy of Vaporization: 75.19 kJ/mol; (18)Vapour Pressure: 1.32E-09 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Tautomer Count: 8; (21)Exact Mass: 329.051107; (22)MonoIsotopic Mass: 329.051107; (23)Topological Polar Surface Area: 97; (24)Heavy Atom Count: 23; (25)Complexity: 524.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(c1ccc(cc1[N+]([O-])=O)C(F)(F)F)C2C(=O)CCCC2=O
2. InChI:InChI=1/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2 
3. InChIKey:OUBCNLGXQFSTLU-UHFFFAOYAM
4. Std. InChI:InChI=1S/C14H10F3NO5/c15-14(16,17)7-4-5-8(9(6-7)18(22)23)13(21)12-10(19)2-1-3-11(12)20/h4-6,12H,1-3H2
5. Std. InChIKey:OUBCNLGXQFSTLU-UHFFFAOYSA-N