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Basic Information
CAS No.: 2438-57-5
Name: (2S,4S)-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID
Article Data: 3
Molecular Structure:
Molecular Structure of 2438-57-5 ((2S,4S)-4-FLUORO-PYRROLIDINE-2-CARBOXYLIC ACID)
Formula: C5H8FNO2
Molecular Weight: 133.122
Synonyms: L-Proline,4-fluoro-, cis-;Proline, 4-fluoro-, L-cis- (8CI);cis-4-Fluoro-L-proline;cis-4-Fluoroproline;
Density: 1.3 g/cm3
Boiling Point: 265.1 °C at 760 mmHg
Flash Point: 114.1 °C
Appearance: Colourless solid
PSA: 49.33000
LogP: 0.09980
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Specification

The L-Proline, 4-fluoro-,(4S)-, with the CAS registry number 2438-57-5, is also known as cis-4-Fluoroproline. This chemical's molecular formula is C5H8FNO2 and molecular weight is 133.120923. Its IUPAC name is called (2S,4S)-4-fluoropyrrolidine-2-carboxylic acid. This chemical is colourless solid.

Physical properties of L-Proline, 4-fluoro-,(4S)-: (1)ACD/LogP: -0.64; (2)ACD/LogD (pH 5.5): -3.14; (3)ACD/LogD (pH 7.4): -3.17; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 28.52 cm3; (13)Molar Volume: 101.7 cm3; (14)Surface Tension: 40.1 dyne/cm; (15)Density: 1.3 g/cm3; (16)Flash Point: 114.1 °C; (17)Enthalpy of Vaporization: 55.37 kJ/mol; (18)Boiling Point: 265.1 °C at 760 mmHg; (19)Vapour Pressure: 0.00271 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1C(CNC1C(=O)O)F
(2)Isomeric SMILES: C1[C@@H](CN[C@@H]1C(=O)O)F
(3)InChI: InChI=1S/C5H8FNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
(4)InChIKey: ZIWHMENIDGOELV-IMJSIDKUSA-N