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Cas Database |
| Name |
(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine |
EINECS | N/A |
| CAS No. | 114676-97-0 | Density | 1.151 g/cm3 |
| PSA | 49.77000 | LogP | 1.26410 |
| Solubility | N/A | Melting Point |
98-99 °C |
| Formula | C10H18FNO3 | Boiling Point | 302.7 °C at 760 mmHg |
| Molecular Weight | 219.256 | Flash Point | 136.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(2R-cis)-2-(Fluoromethyl)-4-hydroxy-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester;(2R,4R)-tert-Butyl 2-(fluoromethyl)-4-hydroxypyrrolidine-1-carboxylate;(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine; |
Article Data | 2 |
(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine Specification
The cas register number of (2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine is 114676-97-0. It also can be called as (2R-cis)-2-(Fluoromethyl)-4-hydroxy-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester and the Systematic name about this chemical is 1-pyrrolidinecarboxylic acid, 2-(fluoromethyl)-4-hydroxy-, 1,1-dimethylethyl ester, (2R,4R)-.
Physical properties about (2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine are: (1)ACD/LogP: 0.08; (2)ACD/LogD (pH 5.5): 0.08; (3)ACD/LogD (pH 7.4): 0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 26.46; (7)ACD/KOC (pH 7.4): 26.46; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 49.77Å2; (12)Index of Refraction: 1.471; (13)Molar Refractivity: 53.27 cm3; (14)Molar Volume: 190.4 cm3; (15)Polarizability: 21.12x10-24cm3; (16)Surface Tension: 37.4 dyne/cm; (17)Enthalpy of Vaporization: 62.97 kJ/mol; (18)Vapour Pressure: 9.43E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1C[C@@H](C[C@@H]1CF)O
(2)InChI: InChI=1/C10H18FNO3/c1-10(2,3)15-9(14)12-6-8(13)4-7(12)5-11/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
(3)InChIKey: MZJMMRVKXQOTDV-HTQZYQBOBO
(4)Std. InChI: InChI=1S/C10H18FNO3/c1-10(2,3)15-9(14)12-6-8(13)4-7(12)5-11/h7-8,13H,4-6H2,1-3H3/t7-,8-/m1/s1
(5)Std. InChIKey: MZJMMRVKXQOTDV-HTQZYQBOSA-N
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