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Name |
4,5,6,7-Tetrafluoroindoline |
EINECS | N/A |
CAS No. | 19282-55-4 | Density | 1.454g/cm3 |
PSA | 12.03000 | LogP | 2.34900 |
Solubility | N/A | Melting Point |
60-61 °C |
Formula | C8H5F4N | Boiling Point | 177.2 °C at 760 mmHg |
Molecular Weight | 191.128 | Flash Point | 61 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Indoline,4,5,6,7-tetrafluoro- (8CI);4,5,6,7-Tetrafluoroindoline; |
Article Data | 5 |
The 4,5,6,7-Tetrafluoroindoline with the CAS number 19282-55-4 is also called 1H-Indole,4,5,6,7-tetrafluoro-2,3-dihydro-. Both the systematic name and IUPAC name are 4,5,6,7-tetrafluoro-2,3-dihydro-1H-indole. Its molecular formula is C8H5F4N. The product category is Indoline & Oxindole.
The properties of the chemical are: (1)ACD/LogP: 2.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.88; (5)ACD/BCF (pH 5.5): 91.39; (6)ACD/BCF (pH 7.4): 91.42; (7)ACD/KOC (pH 5.5): 881.4; (8)ACD/KOC (pH 7.4): 881.72; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.477; (14)Molar Refractivity: 37.13 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 14.72×10-24cm3; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 41.35 kJ/mol; (19)Vapour Pressure: 1.05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(F)c(F)c(F)c2c1CCN2
(2)InChI: InChI=1/C8H5F4N/c9-4-3-1-2-13-8(3)7(12)6(11)5(4)10/h13H,1-2H2
(3)InChIKey: FKFHHGCNFRFAHP-UHFFFAOYAF