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23808-43-7

Basic Information
CAS No.: 23808-43-7
Name: 1-(4-Fluorophenethyl)-4-piperidone
Article Data: 1
Molecular Structure:
Molecular Structure of 23808-43-7 (1-(4-Fluorophenethyl)-4-piperidone)
Formula: C13H16FNO
Molecular Weight: 221.275
Synonyms: 4-Piperidone,1-(p-fluorophenethyl)- (8CI);1-[2-(4-Fluorophenyl)ethyl]piperidin-4-one;
Density: 1.126 g/cm3
Melting Point: 62-64 °C
Boiling Point: 336.2 °C at 760 mmHg
Flash Point: 157.1 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes: 36/37/38
Safety: 26-36
PSA: 20.31000
LogP: 1.97100
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Specification

This chemical is called 1-(4-Fluorophenethyl)-4-piperidone, and it can also be named as 1-[2-(4-Fluorophenyl)ethyl]piperidin-4-one. With the molecular formula of C13H16FNO, its molecular weight is 221.27. The CAS registry number of this chemical is 23808-43-7.

Other characteristics of the 1-(4-Fluorophenethyl)-4-piperidone can be summarised as followings: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.44; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.93; (7)ACD/KOC (pH 5.5): 1.54; (8)ACD/KOC (pH 7.4): 69.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 60.56 cm3; (15)Molar Volume: 196.4 cm3; (16)Polarizability: 24×10-24cm3; (17)Surface Tension: 39.7 dyne/cm; (18)Density: 1.126 g/cm3; (19)Flash Point: 157.1 °C; (20)Enthalpy of Vaporization: 57.93 kJ/mol; (21)Boiling Point: 336.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000114 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: Fc1ccc(cc1)CCN2CCC(=O)CC2
2.InChI: InChI=1/C13H16FNO/c14-12-3-1-11(2-4-12)5-8-15-9-6-13(16)7-10-15/h1-4H,5-10H2
3.InChIKey: RLCBASWXFBEVKY-UHFFFAOYAW