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CAS No.: | 25519-77-1 |
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Name: | 1-[4-(2,4-DIFLUORO-BENZOYL)-PIPERIDIN-1-YL]-ETHANONE |
Article Data: | 21 |
Molecular Structure: | |
Formula: | C14H15F2NO2 |
Molecular Weight: | 249.285 |
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; |
EINECS: | 247-069-5 |
Density: | 1.248 g/cm3 |
Boiling Point: | 408.064 °C at 760 mmHg |
Flash Point: | 200.59 °C |
PSA: | 37.38000 |
LogP: | 2.34390 |
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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