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158553-31-2

Basic Information
CAS No.: 158553-31-2
Name: 4-Piperidinone,1-(3-fluorophenyl)-
Molecular Structure:
Molecular Structure of 158553-31-2 (4-Piperidinone,1-(3-fluorophenyl)-)
Formula: C11H12FNO
Molecular Weight: 193.22
Synonyms: CHEMBRDG-BB 4000325;1-N-(3-FLUOROPHENYL)-PIPERIDIN-4-ONE;1-(3-FLUORO-PHENYL)-PIPERIDIN-4-ONE;1-(3-fluorophenyl)piperidin-4-one(SALTDATA: FREE)
EINECS:
Density: 1.19 g/cm3
Melting Point:
Boiling Point: 327.269 °C at 760 mmHg
Flash Point: 151.727 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 20.31000
LogP: 2.06000
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Specification

The 4-Piperidinone,1-(3-fluorophenyl)- has the CAS registry number 158553-31-2. Its molecular formula is C11H12FNO and its molecular weight is 193.22. Additionally, the systematic name of this chemical is 1-(3-fluorophenyl)piperidin-4-one. 

Other characteristics of the 4-Piperidinone,1-(3-fluorophenyl)- can be summarised as followings: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.137; (4)ACD/LogD (pH 7.4): 1.154; (5)ACD/BCF (pH 5.5): 4.262; (6)ACD/BCF (pH 7.4): 4.437; (7)ACD/KOC (pH 5.5): 97.117; (8)ACD/KOC (pH 7.4): 101.101; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.543; (14)Molar Refractivity: 51.194 cm3; (15)Molar Volume: 162.408 cm3; (16)Polarizability: 20.295×10-24cm3; (17)Surface Tension: 41.944 dyne/cm; (18)Density: 1.19 g/cm3; (19)Flash Point: 151.727 °C; (20)Enthalpy of Vaporization: 56.955 kJ/mol; (21)Boiling Point: 327.269 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:  
1.SMILES: c1cc(cc(c1)F)N2CCC(=O)CC2
2.InChI: InChI=1/C11H12FNO/c12-9-2-1-3-10(8-9)13-6-4-11(14)5-7-13/h1-3,8H,4-7H2
3.InChIKey: FBLDYOQSZAVPAL-UHFFFAOYAP