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Ethyl 4-fluoropiperidine-4-carboxylate

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Name

Ethyl 4-fluoropiperidine-4-carboxylate

EINECS N/A
CAS No. 845958-77-2 Density 1.101 g/cm3
PSA 38.33000 LogP 0.97000
Solubility N/A Melting Point N/A
Formula C8H14FNO2 Boiling Point 207.602 °C at 760 mmHg
Molecular Weight 175.203 Flash Point 79.355 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 845958-77-2 (Ethyl 4-fluoropiperidine-4-carboxylate) Hazard Symbols N/A
Synonyms

4-Fluoro-piperidine-4-carboxylic acid ethyl ester;

Article Data 3

Ethyl 4-fluoropiperidine-4-carboxylate 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

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