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| CAS No.: | 905274-07-9 |
|---|---|
| Name: | 4-(Trifluoromethyl)indoline |
| Molecular Structure: | |
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| Formula: | C9H8F3N |
| Molecular Weight: | 187.163 |
| Synonyms: | 4-(Trifluoromethyl)-2, 3-dihydro-1H-indole; |
| Density: | 1.264 g/cm3 |
| Boiling Point: | 208.6 °C at 760 mmHg |
| Flash Point: | 80 °C |
| PSA: | 12.03000 |
| LogP: | 2.81140 |
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- Total:33 Page 1 of 1 1
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Specification
The 4-(Trifluoromethyl)indoline has CAS registry number 905274-07-9. This chemical's molecular formula is C9H8F3N and molecular weight is 187.163. What's more, its systematic name is 4-(Trifluoromethyl)-2, 3-dihydro-1H-indole.
Physical properties about 4-(Trifluoromethyl)indoline are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.96; (4)ACD/LogD (pH 7.4): 2.98; (5)ACD/BCF (pH 5.5): 103.3; (6)ACD/BCF (pH 7.4): 107.72; (7)ACD/KOC (pH 5.5): 950.79; (8)ACD/KOC (pH 7.4): 991.41; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.14 cm3; (15)Molar Volume: 148 cm3; (16)Polarizability: 16.7×10-24 cm3; (17)Surface Tension: 28.9 dyne/cm; (18)Density: 1.264 g/cm3; (19)Flash Point: 80 °C; (20)Enthalpy of Vaporization: 44.49 kJ/mol; (21)Boiling Point: 208.6 °C at 760 mmHg; (22)Vapour Pressure: 0.212 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: FC(F)(F)c1cccc2c1CCN2
(2) InChI: InChI=1/C9H8F3N/c10-9(11,12)7-2-1-3-8-6(7)4-5-13-8/h1-3,13H,4-5H2
(3) InChIKey: FOCIDGZBJANSEG-UHFFFAOYAV