(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine supplier

Name
(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine
EINECS
CAS No. 114676-97-0
Article Data2
CAS DataBase
Density 1.151 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 49.77000
LogP 1.26410

(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

Product Name

(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine

(2R,4R)-N-Boc-2-(fluoromethyl)-4-hydroxypyrrolidine Specification

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