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| CAS No.: | 845958-77-2 |
|---|---|
| Name: | Ethyl 4-fluoropiperidine-4-carboxylate |
| Molecular Structure: | |
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| Formula: | C8H14FNO2 |
| Molecular Weight: | 175.203 |
| Synonyms: | 4-Fluoro-piperidine-4-carboxylic acid ethyl ester; |
| Density: | 1.101 g/cm3 |
| Boiling Point: | 207.602 °C at 760 mmHg |
| Flash Point: | 79.355 °C |
| PSA: | 38.33000 |
| LogP: | 0.97000 |
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Specification
The Ethyl 4-fluoropiperidine-4-carboxylate has CAS registry number 845958-77-2. This chemical's molecular formula is C8H14FNO2 and molecular weight is 175.202. What's more, its systematic name is Ethyl 4-fluoropiperidine-4-carboxylate.
Physical properties about Ethyl 4-fluoropiperidine-4-carboxylate are: (1)ACD/LogP: -0.34; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 5; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 38.33 Å2; (11)Index of Refraction: 1.449; (12)Molar Refractivity: 42.676 cm3; (13)Molar Volume: 159.193 cm3; (14)Polarizability: 16.918×10-24 cm3; (15)Surface Tension: 32.476 dyne/cm; (16)Density: 1.101 g/cm3; (17)Flash Point: 79.355 °C; (18)Enthalpy of Vaporization: 44.386 kJ/mol; (19)Boiling Point: 207.602 °C at 760 mmHg; (20)Vapour Pressure: 0.223 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)C1(F)CCNCC1
(2) InChI: InChI=1/C8H14FNO2/c1-2-12-7(11)8(9)3-5-10-6-4-8/h10H,2-6H2,1H3
(3) InChIKey: IRHZQIJIMBFMKC-UHFFFAOYAL