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Name |
L-Proline, 4-fluoro-, methyl ester, (4R)- |
EINECS | N/A |
CAS No. | 126111-11-3 | Density | 1.15 g/cm3 |
PSA | 38.33000 | LogP | 0.18820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H10FNO2 | Boiling Point | 180.7 °C at 760 mmHg |
Molecular Weight | 147.15 | Flash Point | 63.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl (2S,4R)-4-fluoropyrrolidine-2-carboxylate;Methyl (2S,4R)-4-fluoroprolinate;Methyl (4R)-4-fluoro-L-prolinate; |
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