3-Fluoro-4-piperidinone supplier

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

3-Fluoro-4-piperidinone Specification

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

Product Name

4-Piperidinone,3-fluoro

3-Fluoro-4-piperidinone Specification

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