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| CAS No.: | 876617-25-3 |
|---|---|
| Name: | (R)-1-BOC-3-FLUORO PYRROLIDINE |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H16FNO2 |
| Molecular Weight: | 189.23 |
| Synonyms: | tert-Butyl (3R)-3-fluoropyrrolidine-1-carboxylate;N-t-Boc-(3R)-fluoropyrrolidine; |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 230.4 °C at 760 mmHg |
| Flash Point: | 93.2 °C |
| PSA: | 29.54000 |
| LogP: | 1.90320 |
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- Total:27 Page 1 of 1 1
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Specification
The 1-Pyrrolidinecarboxylicacid, 3-fluoro-, 1,1-dimethylethyl ester, (3R)-, with the CAS registry number 876617-25-3, is also known as N-t-Boc-(3R)-fluoropyrrolidine. This chemical's molecular formula is C9H16FNO2 and molecular weight is 189.23. What's more, its systematic name is tert-butyl (3R)-3-fluoropyrrolidine-1-carboxylate.
Physical properties of 1-Pyrrolidinecarboxylicacid, 3-fluoro-, 1,1-dimethylethyl ester, (3R)- are: (1)ACD/LogP: 1.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.21; (4)ACD/LogD (pH 7.4): 1.21; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 29.54 Å2; (9)Index of Refraction: 1.455; (10)Molar Refractivity: 47.51 cm3; (11)Molar Volume: 175 cm3; (12)Polarizability: 18.83×10-24cm3; (13)Surface Tension: 31.9 dyne/cm; (14)Density: 1.08 g/cm3; (15)Flash Point: 93.2 °C; (16)Enthalpy of Vaporization: 46.7 kJ/mol; (17)Boiling Point: 230.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0659 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC[C@@H](F)C1
(2)Std. InChI: InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3/t7-/m1/s1
(3)Std. InChIKey: SUECTKVSIDXQQE-SSDOTTSWSA-N