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1H-Indole,2-methyl-5-(trifluoromethoxy)- (900182-99-2)

Identification
Name:1H-Indole,2-methyl-5-(trifluoromethoxy)-
Synonyms:2-Methyl-5-(trifluoromethoxy)-1H-indole;
CAS:900182-99-2
Molecular Formula: C10H8F3NO
Molecular Weight: 215.17
InChI: InChI=1/C10H8F3NO/c1-6-4-7-5-8(15-10(11,12)13)2-3-9(7)14-6/h2-5,14H,1H3
Molecular Structure: (C10H8F3NO) 2-Methyl-5-(trifluoromethoxy)-1H-indole;
Properties
Flash Point: 113 ºC
Boiling Point: 264 ºC
Density:1.357
Refractive index:1.55
Specification:

The IUPAC name of 2-Methyl-5-(trifluoromethoxy)-1H-indole is 2-methyl-5-(trifluoromethoxy)-1H-indole. With the CAS registry number 900182-99-2, it is also named as 1H-Indole,2-methyl-5-(trifluoromethoxy)-. In addition, its molecular formula is C10H8F3NO and its molecular weight is 215.17. 

The other characteristics of 2-Methyl-5-(trifluoromethoxy)-1H-indole can be summarized as: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.183; (4)ACD/LogD (pH 7.4): 3.183; (5)ACD/BCF (pH 5.5): 154.489; (6)ACD/BCF (pH 7.4): 154.489; (7)ACD/KOC (pH 5.5): 1283.575; (8)ACD/KOC (pH 7.4): 1283.575; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.02 Å2; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 50.489 cm3; (15)Molar Volume: 158.541 cm3; (16)Polarizability: 20.015×10-24cm3; (17)Surface Tension: 36.111 dyne/cm; (18)Density: 1.357 g/cm3; (19)Flash Point: 113.221 °C; (20)Enthalpy of Vaporization: 48.121 kJ/mol; (21)Boiling Point: 263.6 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cc2cc(ccc2[nH]1)OC(F)(F)F
(2)InChI:InChI=1/C10H8F3NO/c1-6-4-7-5-8(15-10(11,12)13)2-3-9(7)14-6/h2-5,14H,1H3
(3)InChIKey:LFVRFYLUTQMYHC-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C10H8F3NO/c1-6-4-7-5-8(15-10(11,12)13)2-3-9(7)14-6/h2-5,14H,1H3
(5)Std. InChIKey:LFVRFYLUTQMYHC-UHFFFAOYSA-N

Flash Point: 113 ºC
Safety Data
 

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