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CAS No.: | 1016529-46-6 |
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Name: | 2-(2,6-difluorophenyl)pyrrolidine |
Molecular Structure: | |
Formula: | C10H11F2N |
Molecular Weight: | 183.20 |
Synonyms: | 2-(2,6-Difluorophenyl)pyrrolidine; |
Density: | 1.164 g/cm3 |
Boiling Point: | 196.1 °C at 760 mmHg |
Flash Point: | 72.4 °C |
PSA: | 12.03000 |
LogP: | 2.71810 |
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The Pyrrolidine, 2-(2, 6-difluorophenyl)- has CAS registry number 1016529-46-6. This chemical's molecular formula is C10H11F2N and molecular weight is 183.20. What's more, its systematic name is 2-(2, 6-Difluorophenyl)pyrrolidine.
Physical properties about Pyrrolidine, 2-(2, 6-difluorophenyl)- are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.97; (7)#H bond acceptors: 1; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 12.03 Å2; (11)Index of Refraction: 1.499; (12)Molar Refractivity: 46.22 cm3; (13)Molar Volume: 157.3 cm3; (14)Polarizability: 18.32×10-24 cm3; (15)Surface Tension: 34.2 dyne/cm; (16)Density: 1.164 g/cm3; (17)Flash Point: 72.4 °C; (18)Enthalpy of Vaporization: 43.23 kJ/mol; (19)Boiling Point: 196.1 °C at 760 mmHg; (20)Vapour Pressure: 0.406 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc2cccc(F)c2C1CCCN1
(2) InChI: InChI=1/C10H11F2N/c11-7-3-1-4-8(12)10(7)9-5-2-6-13-9/h1,3-4,9,13H,2,5-6H2
(3) InChIKey: APJIUSMTBHARPY-UHFFFAOYAE