(2S)-4,4-Difluoro-2-pyrrolidinecarboxamide supplier

Name
2-Pyrrolidinecarboxamide,4,4-difluoro-,(2S)-(9CI)
EINECS
CAS No. 719267-96-6
Article Data3
CAS DataBase
Density 1.328 g/cm³
Solubility
Melting Point
Formula C₅H₈F₂N₂O
Boiling Point 303.799 °C at 760 mmHg
Molecular Weight 150.13
Flash Point 137.533 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (2S)-4,4-Difluoroprolinamide;
PSA 55.12000
LogP 0.49800

(2S)-4,4-Difluoro-2-pyrrolidinecarboxamide Specification

The (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide, with the CAS registry number 719267-96-6, is also known as (2S)-4,4-Difluoroprolinamide. This chemical's molecular formula is C₅H₈F₂N₂O and molecular weight is 150.13. What's more, its systematic name is 4,4-Difluoro-L-prolinamide.

Physical properties of (2S)-4,4-Difluoro-2-pyrrolidinecarboxamide are: (1)ACD/LogP: -1.419; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.48; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 3.50; (8)ACD/KOC (pH 7.4): 4.02; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.12 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 30.763 cm³; (15)Molar Volume: 113.091 cm³; (16)Polarizability: 12.196×10^-24cm³; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 1.328 g/cm³; (19)Flash Point: 137.533 °C; (20)Enthalpy of Vaporization: 54.412 kJ/mol; (21)Boiling Point: 303.799 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1C(NCC1(F)F)C(=O)N
(2)Std. InChI: InChI=1S/C5H8F2N2O/c6-5(7)1-3(4(8)10)9-2-5/h3,9H,1-2H2,(H2,8,10)/t3-/m0/s1
(3)Std. InChIKey: MVEDZPQIZLYLLT-VKHMYHEASA-N

Product Name

2-Pyrrolidinecarboxamide,4,4-difluoro-,(2S)-(9CI)

(2S)-4,4-Difluoro-2-pyrrolidinecarboxamide Specification

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