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| CAS No.: | 189350-64-9 |
|---|---|
| Name: | (R)-2,2,2-Trifluoro-1-phenylethylamine HCl |
| Molecular Structure: | |
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| Formula: | C8H9ClF3N |
| Molecular Weight: | 211.614 |
| Synonyms: | Benzenemethanamine, α-(trifluoromethyl)-, hydrochloride, (αR)- (9CI);Benzenemethanamine,α-(trifluoromethyl)-,hydrochloride, (R)-; |
| Boiling Point: | 237.7 °C at 760 mmHg |
| Flash Point: | 97.6 °C |
| PSA: | 26.02000 |
| LogP: | 3.75100 |
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Specification
The (R)-2, 2, 2-Trifluoro-1-phenylethylamine HCl, with the CAS registry number 189350-64-9, is also known as Benzenemethanamine, α-(trifluoromethyl)-,hydrochloride, (R)-. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C8H9ClF3N and molecular weight is 211.61. What's more, its IUPAC name is (1R)-2, 2, 2-Trifluoro-1-phenylethanamine hydrochloride.
Physical properties about (R)-2, 2, 2-Trifluoro-1-phenylethylamine HCl are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.94; (5)#H bond acceptors: 1; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 26.02 Å2; (9)Flash Point: 97.6 °C; (10)Enthalpy of Vaporization: 48.42 kJ/mol; (11)Boiling Point: 237.7 °C at 760 mmHg; (12)Vapour Pressure: 0.0356 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Cl.N[C@H](c1ccccc1)C(F)(F)F
(2) InChI: InChI=1/C8H8F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h1-5,7H,12H2;1H/t7-;/m1./s1
(3) InChIKey: LCQGOISHUDYBOS-OGFXRTJIBV