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CAS No.: | 1070955-78-0 |
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Name: | 4-Piperidinone,3-fluoro |
Molecular Structure: | |
Formula: | C5H8FNO |
Molecular Weight: | 117.1215232 |
Synonyms: | 4-Piperidinone,3-fluoro;3-Fluoro-4-piperidinone;3-fluoropiperidin-4-one |
Density: | 1.133 g/cm3 |
Boiling Point: | 172.377 °C at 760 mmHg |
Flash Point: | 58.052 °C |
PSA: | 29.10000 |
LogP: | 0.21570 |
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The 4-Piperidinone,3-fluoro, with CAS registry number 1070955-78-0, has the systematic name of 3-fluoropiperidin-4-one. Its molecular weight is 117.1215232. And the chemical formula of this chemical is C5H8FNO.
Physical properties of 4-Piperidinone,3-fluoro: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 8.595; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 29.1 Å2; (10)Index of Refraction: 1.436; (11)Molar Refractivity: 27.012 cm3; (12)Molar Volume: 103.35 cm3; (13)Polarizability: 10.708×10-24cm3; (14)Surface Tension: 29.64 dyne/cm; (15)Density: 1.133 g/cm3; (16)Flash Point: 58.052 °C; (17)Enthalpy of Vaporization: 40.875 kJ/mol; (18)Boiling Point: 172.377 °C at 760 mmHg; (19)Vapour Pressure: 1.335 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: C1CNCC(C1=O)F
(2)InChI: InChI=1/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2
(3)InChIKey: GYCGAPQMEYPDIJ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C5H8FNO/c6-4-3-7-2-1-5(4)8/h4,7H,1-3H2
(5)Std. InChIKey: GYCGAPQMEYPDIJ-UHFFFAOYSA-N