Product Name

  • Name

    1-[4-(2,4-DIFLUORO-BENZOYL)-PIPERIDIN-1-YL]-ETHANONE

  • EINECS 247-069-5
  • CAS No. 25519-77-1
  • Article Data21
  • CAS DataBase
  • Density 1.248 g/cm3
  • Solubility
  • Melting Point
  • Formula C14H15F2NO2
  • Boiling Point 408.064 °C at 760 mmHg
  • Molecular Weight 249.285
  • Flash Point 200.59 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 25519-77-1 (1-[4-(2,4-DIFLUORO-BENZOYL)-PIPERIDIN-1-YL]-ETHANONE)
  • Hazard Symbols
  • Synonyms Piperidine,1-acetyl-4-(4-fluorobenzoyl)- (9CI);Piperidine, 1-acetyl-4-(p-fluorobenzoyl)-(8CI);1-Acetyl-4-(p-fluorobenzoyl)piperidine;1-Acetyl-4-(4-fluorobenzoyl)piperidine;
  • PSA 37.38000
  • LogP 2.34390

Ethanone,1-[4-(4-fluorobenzoyl)-1-piperidinyl]- Specification

The Ethanone,1-[4-(4-fluorobenzoyl)-1-piperidinyl]-, with the CAS registry number 25519-77-1, is also known as 1-[4-(2,4-Difluoro-benzoyl)-piperidin-1-yl]-ethanone. This chemical's molecular formula is C14H15F2NO2 and molecular weight is 267.27. Its EINECS registry number is 247-069-5. What's more, its systematic name is 1-[4-(2,4-Difluorobenzoyl)-1-piperidyl]ethanone. 

Physical properties about Ethanone,1-[4-(4-fluorobenzoyl)-1-piperidinyl] are: (1)ACD/LogP: 1.69; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.338; (6)ACD/BCF (pH 7.4): 11.338; (7)ACD/KOC (pH 5.5): 197.901; (8)ACD/KOC (pH 7.4): 197.901; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.38 Å2; (13)Index of Refraction: 1.523; (14)Molar Refractivity: 65.463 cm3; (15)Molar Volume: 214.2 cm3; (16)Polarizability: 25.952×10-24cm3; (17)Surface Tension: 41.603 dyne/cm; (18)Density: 1.248 g/cm3; (19)Flash Point: 200.59 °C; (20)Enthalpy of Vaporization: 66.004 kJ/mol; (21)Boiling Point: 408.064 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)N1CCC(CC1)C(=O)c2ccc(cc2F)F
(2) InChI: InChI=1/C14H15F2NO2/c1-9(18)17-6-4-10(5-7-17)14(19)12-3-2-11(15)8-13(12)16/h2-3,8,10H,4-7H2,1H3
(3) InChIKey: UGPWQEIGJWVJDR-UHFFFAOYAH

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