Basic information
- Name:
2H-Indol-2-one,1,3-dihydro-6-(trifluoromethyl)-
- Superlist Name:
- 6-Trifluoromethvl-2-oxindole
- CAS No.:
1735-89-3
- Molecular Structure:
- Formula:
- C9H6F3NO
- Molecular Weight:
- 201.14
- Synonyms:
- 2-Indolinone,6-(trifluoromethyl)- (7CI,8CI);2-Oxo-6-(trifluoromethyl)indoline;6-(Trifluoromethyl)-2-oxindole;6-(Trifluoromethyl)-1,3-dihydro-2H-indol-2-one;
- Density:
- 1.391 g/cm3
- Melting Point:
- 184-186 ºC
- Boiling Point:
- 289.8 ºC at 760 mmHg
- Flash Point:
- 129.1 ºC
- Hazard Symbols:
Xi
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Specification
The IUPAC name of 2H-Indol-2-one,1,3-dihydro-6-(trifluoromethyl)- is 6-(trifluoromethyl)-1,3-dihydroindol-2-one. With the CAS registry number 1735-89-3, it is also named as 6-Trifluoromethvl-2-oxindole. The product's categories are Blocks; Fluoro Compounds; Indoles Oxindoles; Indole / Indoline / Oxindole; Indoline & Oxindole; Indoles; Boronic Acid; Heterocyclic Compounds. Besides, it should be stored in cold place. In addition, its molecular formula is C9H6F3NO and molecular weight is 201.14.
The other characteristics of 2H-Indol-2-one,1,3-dihydro-6-(trifluoromethyl)- can be summarized as: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.27; (4)ACD/LogD (pH 7.4): 2.27; (5)ACD/BCF (pH 5.5): 31.14; (6)ACD/BCF (pH 7.4): 31.14; (7)ACD/KOC (pH 5.5): 407.88; (8)ACD/KOC (pH 7.4): 407.88; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 42.27 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 16.75×10-24cm3; (17)Surface Tension: 33.5 dyne/cm; (18)Density: 1.391 g/cm3; (19)Flash Point: 129.1 °C; (20)Melting Point: 184-186 °C; (21)Enthalpy of Vaporization: 52.91 kJ/mol; (22)Boiling Point: 289.8 °C at 760 mmHg; (23)Vapour Pressure: 0.00215 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: FC(F)(F)c1ccc2c(c1)NC(=O)C2
(2)InChI: InChI=1/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)
(3)InChIKey: LZPKWQOLOCLSBO-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H6F3NO/c10-9(11,12)6-2-1-5-3-8(14)13-7(5)4-6/h1-2,4H,3H2,(H,13,14)
(5)Std. InChIKey: LZPKWQOLOCLSBO-UHFFFAOYSA-N
