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126111-11-3

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Basic Information
CAS No.: 126111-11-3
Name: METHYL (2S,4R)-4-FLUOROPROLINATE
Molecular Structure:
Molecular Structure of 126111-11-3 (METHYL (2S,4R)-4-FLUOROPROLINATE)
Formula: C6H10FNO2
Molecular Weight: 147.15
Synonyms: Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;Methyl (2S,4R)-4-fluoroprolinate;Methyl (4R)-4-fluoro-L-prolinate;
Density: 1.15 g/cm3
Boiling Point: 180.7 °C at 760 mmHg
Flash Point: 63.1 °C
PSA: 38.33000
LogP: 0.18820
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Specification

The L-Proline, 4-fluoro-, methyl ester, (4R)-, with the CAS registry number 126111-11-3, is also known as Methyl (2S,4R)-4-fluoroprolinate. It belongs to the product categories of Carboxylicester; Halide. This chemical's molecular formula is C6H10FNO2 and molecular weight is 147.15. What's more, its systematic name is methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate. 

Physical properties of L-Proline, 4-fluoro-, methyl ester, (4R)- are: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 2; (5)Polar Surface Area: 38.33 Å2; (6)Index of Refraction: 1.438; (7)Molar Refractivity: 33.36 cm3; (8)Molar Volume: 127 cm3; (9)Polarizability: 13.22×10-24cm3; (10)Surface Tension: 30.9 dyne/cm; (11)Density: 1.15 g/cm3; (12)Flash Point: 63.1 °C; (13)Enthalpy of Vaporization: 41.7 kJ/mol; (14)Boiling Point: 180.7 °C at 760 mmHg; (15)Vapour Pressure: 0.882 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)[C@@H]1C[C@@H](F)CN1
(2)InChI: InChI=1S/C6H10FNO2/c1-10-6(9)5-2-4(7)3-8-5/h4-5,8H,2-3H2,1H3/t4-,5+/m1/s1
(3)InChIKey: PGEIOIOBHIGEMT-UHNVWZDZSA-N