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893747-85-8

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Basic Information
CAS No.: 893747-85-8
Name: 1-(2-Fluorobenzyl)piperazin-2-one
Molecular Structure:
Molecular Structure of 893747-85-8 (1-(2-Fluorobenzyl)piperazin-2-one)
Formula: C11H13FN2O
Molecular Weight: 208.23
Synonyms: 2-piperazinone, 1-[(2-fluorophenyl)methyl]-;
Density: 1.207 g/cm3
Boiling Point: 380.608 °C at 760 mmHg
Flash Point: 183.985 °C
PSA: 32.34000
LogP: 1.02420
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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