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1-(2-Fluorobenzyl)piperazin-2-one

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Name

1-(2-Fluorobenzyl)piperazin-2-one

EINECS N/A
CAS No. 893747-85-8 Density 1.207 g/cm3
PSA 32.34000 LogP 1.02420
Solubility N/A Melting Point N/A
Formula C11H13FN2O Boiling Point 380.608 °C at 760 mmHg
Molecular Weight 208.23 Flash Point 183.985 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 893747-85-8 (1-(2-Fluorobenzyl)piperazin-2-one) Hazard Symbols N/A
Synonyms

2-piperazinone, 1-[(2-fluorophenyl)methyl]-;

 

1-(2-Fluorobenzyl)piperazin-2-one Specification

The 1-(2-Fluorobenzyl)piperazin-2-one with the CAS number 893747-85-8 is also called 2-piperazinone, 1-[(2-fluorophenyl)methyl]-. Its molecular formula is C11H13FN2O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 1-(2-Fluorobenzyl)piperazin-2-one are: (1)ACD/LogP: -0.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 8; (7)ACD/KOC (pH 7.4): 51; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 32.34 Å2; (12)Index of Refraction: 1.546; (13)Molar Refractivity: 54.652 cm3; (14)Molar Volume: 172.559 cm3; (15)Polarizability: 21.666×10-24cm3; (16)Surface Tension: 42.879 dyne/cm; (17)Enthalpy of Vaporization: 62.878 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccccc2CN1CCNCC1=O
(2)InChI: InChI=1/C11H13FN2O/c12-10-4-2-1-3-9(10)8-14-6-5-13-7-11(14)15/h1-4,13H,5-8H2
(3)InChIKey: VDTMKYQLLVZDID-UHFFFAOYAI

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