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907972-55-8

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Basic Information
CAS No.: 907972-55-8
Name: 1-(2-FLUORO-PHENYL)-PIPERAZIN-2-ONE
Molecular Structure:
Molecular Structure of 907972-55-8 (1-(2-FLUORO-PHENYL)-PIPERAZIN-2-ONE)
Formula: C10H11FN2O
Molecular Weight: 194.21
Synonyms: 1-(2-Fluorophenyl)-2-piperazinone;1-(2-FLUORO-PHENYL)-PIPERAZIN-2-ONE
Density: 1.225g/cm3
Boiling Point: 388.982 °C at 760 mmHg
Flash Point: 189.05 °C
PSA: 32.34000
LogP: 1.15570
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Specification

The 1-(2-Fluorophenyl)-2-piperazinone, with CAS registry number 907972-55-8, has the systematic name of 1-(2-fluorophenyl)piperazin-2-one. And the chemical formula of this chemical is C10H11FN2O. Its molecular weight is 194.21.

Physical properties of 1-(2-Fluorophenyl)-2-piperazinone: (1)ACD/LogP: 1.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.409; (4)ACD/LogD (pH 7.4): 1.431; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 6.984; (7)ACD/KOC (pH 5.5): 12.82; (8)ACD/KOC (pH 7.4): 134.813; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 32.34 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 49.93 cm3; (15)Molar Volume: 158.441 cm3; (16)Polarizability: 19.794×10-24cm3; (17)Surface Tension: 41.233 dyne/cm; (18)Enthalpy of Vaporization: 63.826 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)N2CCNCC2=O)F
(2)InChI: InChI=1/C10H11FN2O/c11-8-3-1-2-4-9(8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
(3)InChIKey: XADOLDIXWGJVRV-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H11FN2O/c11-8-3-1-2-4-9(8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
(5)Std. InChIKey: XADOLDIXWGJVRV-UHFFFAOYSA-N