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Basic Information
CAS No.: 907972-57-0
Name: 1-(3-FLUORO-PHENYL)-PIPERAZIN-2-ONE
Molecular Structure:
Molecular Structure of 907972-57-0 (1-(3-FLUORO-PHENYL)-PIPERAZIN-2-ONE)
Formula: C10H11FN2O
Molecular Weight: 194.209
Synonyms: 1-(3-Fluorophenyl)-2-piperazinone;2-Piperazinone, 1-(3-fluorophenyl)-;1-(3-FLUORO-PHENYL)-PIPERAZIN-2-ONE
Density: 1.226g/cm3
Boiling Point: 410.948 °C at 760 mmHg
Flash Point: 202.334 °C
PSA: 32.34000
LogP: 1.15570
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Specification

The 1-(3-Fluorophenyl)-2-piperazinone, with CAS registry number 907972-57-0, has the systematic name of 1-(3-fluorophenyl)piperazin-2-one. Its molecular weight is 194.21. And the chemical formula of this chemical is C10H11FN2O.

Physical properties of 1-(3-Fluorophenyl)-2-piperazinone: (1)ACD/LogP: 0.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.585; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1.58; (6)ACD/KOC (pH 5.5): 3.793; (7)ACD/KOC (pH 7.4): 46.206; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 32.34 Å2; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 49.93 cm3; (14)Molar Volume: 158.441 cm3; (15)Polarizability: 19.794×10-24cm3; (16)Surface Tension: 41.233 dyne/cm; (17)Density: 1.226 g/cm3; (18)Flash Point: 202.334 °C; (19)Enthalpy of Vaporization: 66.335 kJ/mol; (20)Boiling Point: 410.948 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)F)N2CCNCC2=O
(2)InChI: InChI=1/C10H11FN2O/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14/h1-3,6,12H,4-5,7H2
(3)InChIKey: ZJDYAQQZZRVJQS-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C10H11FN2O/c11-8-2-1-3-9(6-8)13-5-4-12-7-10(13)14/h1-3,6,12H,4-5,7H2
(5)Std. InChIKey: ZJDYAQQZZRVJQS-UHFFFAOYSA-N