Name: 6-TRIFLUOROMETHYL ISATIN
SKU: 343-69-1

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Basic Information

Molecular Structure:
CAS No.:	343-69-1
Name:	6-TRIFLUOROMETHYL ISATIN
Article Data:	10

Formula:	C₉H₄F₃NO₂
Molecular Weight:	215.131
Synonyms:	Indole-2,3-dione,6-(trifluoromethyl)- (7CI,8CI);6-(Trifluoromethyl)isatin;6-(trifluoromethyl)-1H-indole-2,3-dione;
EINECS:	1312995-182-4
Density:	1.525 g/cm³
PSA:	46.17000
LogP:	1.97820

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Specification

The 6-(Trifluoromethyl)indoline-2,3-dione, with the CAS registry number 343-69-1, has the systematic name of 6-(trifluoromethyl)-1H-indole-2,3-dione. It belongs to the following categories: Blocks; Indoles Oxindoles. And the molecular formula of the chemical is C₉H₄F₃NO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 17; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 261; (8)ACD/KOC (pH 7.4): 250; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 46.17 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 42.404 cm³; (15)Molar Volume: 141.063 cm³; (16)Polarizability: 16.81×10^-24cm³; (17)Surface Tension: 39.229 dyne/cm; (18)Density: 1.525 g/cm³.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)c1ccc2c(c1)NC(=O)C2=O
(2)InChI: InChI=1/C9H4F3NO2/c10-9(11,12)4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15)
(3)InChIKey: CYVMRSKFRIKMQL-UHFFFAOYAK