Basic Information | Post buying leads | Suppliers |
Name |
3-Fluoro-4-piperidinone |
EINECS | N/A |
CAS No. | 1070955-78-0 | Density | 1.133 g/cm3 |
PSA | 29.10000 | LogP | 0.21570 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H8FNO | Boiling Point | 172.377 °C at 760 mmHg |
Molecular Weight | 117.1215232 | Flash Point | 58.052 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Piperidinone,3-fluoro;3-Fluoro-4-piperidinone;3-fluoropiperidin-4-one |
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