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| CAS No.: | 644970-41-2 |
|---|---|
| Name: | 3-(Trifluoromethyl)pyrrolidine |
| Molecular Structure: | |
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| Formula: | C5H8F3N |
| Molecular Weight: | 139.12 |
| Synonyms: | 3-Trifluoromethylpyrrolidine |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 88.8 °C at 760 mmHg |
| Flash Point: | 7.5 °C |
| PSA: | 12.03000 |
| LogP: | 2.28900 |
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Specification
The CAS register number of 3-(Trifluoromethyl)pyrrolidine is 644970-41-2. The molecular formula about this chemical is C5H8F3N and the molecular weight is 139.1189.
Physical properties about 3-(Trifluoromethyl)pyrrolidine are: (1)ACD/LogP: 0.84; (2)ACD/LogD (pH 5.5): -2.21; (3)ACD/LogD (pH 7.4): -1.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.368; (12)Molar Refractivity: 26.58 cm3; (13)Molar Volume: 117.8 cm3; (14)Polarizability: 10.53x10-24cm3; (15)Surface Tension: 20.4 dyne/cm; (16)Density: 1.18 g/cm3; (17)Flash Point: 7.5 °C; (18)Enthalpy of Vaporization: 32.89 kJ/mol; (19)Boiling Point: 88.8 °C at 760 mmHg; (20)Vapour Pressure: 60.3 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C1CCNC1
(2)InChI: InChI=1/C5H8F3N/c6-5(7,8)4-1-2-9-3-4/h4,9H,1-3H2
(3)InChIKey: HCWXUWGQMOEJJJ-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C5H8F3N/c6-5(7,8)4-1-2-9-3-4/h4,9H,1-3H2
(5)Std. InChIKey: HCWXUWGQMOEJJJ-UHFFFAOYSA-N