L-Proline,5-oxo-1-(trifluoroacetyl)- (9CI) supplier

Name
5-oxo-1-(trifluoroacetyl)-L-proline
EINECS 256-268-6
CAS No. 46383-56-6
Density 1.653 g/cm³
Solubility
Melting Point
Formula C₇H₆F₃NO₄
Boiling Point 325.4 °C at 760 mmHg
Molecular Weight 225.1220496
Flash Point 150.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Oxo-1-(trifluoroacetyl)-L-proline;
PSA 0.00000
LogP 0.00000

L-Proline,5-oxo-1-(trifluoroacetyl)- (9CI) Specification

The L-Proline,5-oxo-1-(trifluoroacetyl)- (9CI), with the CAS registry number of 46383-56-6, is also known as 5-Oxo-1-(trifluoroacetyl)-L-proline. Its EINECS registry number is 256-268-6. Its molecular formula is C₇H₆F₃NO₄ and molecular weight is 225.1220496. What's more, its IUPAC name is (2S)-5-Oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid.

Physical properties about the L-Proline,5-oxo-1-(trifluoroacetyl)- (9CI) are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.78; (4)ACD/LogD (pH 7.4): -2.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.68 Å²; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 37.91 cm³; (15)Molar Volume: 136.1 cm³; (16)Surface Tension: 49.5 dyne/cm; (17)Density: 1.653 g/cm³; (18)Flash Point: 150.6 °C; (19)Enthalpy of Vaporization: 62.39 kJ/mol; (20)Boiling Point: 325.4 °C at 760 mmHg; (21)Vapour Pressure: 4.67E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1N(C(=O)C(F)(F)F)[C@H](C(=O)O)CC1
(2) InChI: InChI=1/C7H6F3NO4/c8-7(9,10)6(15)11-3(5(13)14)1-2-4(11)12/h3H,1-2H2,(H,13,14)/t3-/m0/s1
(3) InChIKey: OACPNTTXGYKMDU-VKHMYHEABB

Product Name

5-oxo-1-(trifluoroacetyl)-L-proline

L-Proline,5-oxo-1-(trifluoroacetyl)- (9CI) Specification

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