3-Fluoro-4-benzylpiperidinone supplier

Name
4-BENZYL-PIPERIDINONE, 3-FLUORO
EINECS
CAS No. 475152-19-3
Density 1.144 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₄FNO
Boiling Point 371.877 °C at 760 mmHg
Molecular Weight 207.24
Flash Point 178.705 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-BENZYL-PIPERIDINONE, 3-FLUORO;3-Fluoro-4-benzylpiperidinone
PSA 32.59000
LogP 1.97920

3-Fluoro-4-benzylpiperidinone Specification

The 3-Fluoro-4-benzylpiperidinone, with CAS registry number 475152-19-3, has the systematic name of 4-benzyl-3-fluoro-piperidin-2-one. Besides this, it is also called 2-piperidinone, 3-fluoro-4-(phenylmethyl)-. And the chemical formula of this chemical is C₁₂H₁₄FNO.

Physical properties of 3-Fluoro-4-benzylpiperidinone: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.699; (4)ACD/LogD (pH 7.4): 1.699; (5)ACD/BCF (pH 5.5): 11.506; (6)ACD/BCF (pH 7.4): 11.506; (7)ACD/KOC (pH 5.5): 200.004; (8)ACD/KOC (pH 7.4): 200.004; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 56.333 cm³; (15)Molar Volume: 181.168 cm³; (16)Polarizability: 22.332×10^-24cm³; (17)Surface Tension: 39.099 dyne/cm; (18)Enthalpy of Vaporization: 61.895 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CC2CCNC(=O)C2F
(2)InChI: InChI=1/C12H14FNO/c13-11-10(6-7-14-12(11)15)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)
(3)InChIKey: CUPUEPQAZUIWQA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C12H14FNO/c13-11-10(6-7-14-12(11)15)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,14,15)
(5)Std. InChIKey: CUPUEPQAZUIWQA-UHFFFAOYSA-N

Product Name

4-BENZYL-PIPERIDINONE, 3-FLUORO

3-Fluoro-4-benzylpiperidinone Specification

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