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60569-13-3

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Basic Information
CAS No.: 60569-13-3
Name: 2-fluoro-N,2,2-trinitro-N-(2,2,2-trinitroethyl)ethanamine
Article Data: 1
Molecular Structure:
Molecular Structure of 60569-13-3 (2-fluoro-N,2,2-trinitro-N-(2,2,2-trinitroethyl)ethanamine)
Formula: C4H4FN7O12
Molecular Weight: 361.114
Synonyms: Ethanamine, 2-fluoro-N,2,2-trinitro-N-(2,2,2-trinitroethyl)-;1-Fluoro-1,1,3,5,5,5-hexanitro-3-azapentane;1-Fluoro-1,1,3,5,5-hexaanitro-3-azapentane;
Density: 1.962 g/cm3
Boiling Point: 483.6 °C at 760 mmHg
Flash Point: 246.3 °C
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Specification

The Ethanamine,N-(2-fluoro-2,2-dinitroethyl)-N,2,2,2-tetranitro-, with the CAS registry number 60569-13-3, is also known as 1-Fluoro-1,1,3,5,5-hexaanitro-3-azapentane. This chemical's molecular formula is C4H4FN7O12 and molecular weight is 361.11. What's more, its systematic name is 2-Fluoro-N,2,2-trinitro-N-(2,2,2-trinitroethyl)ethanamine.

Physical properties of Ethanamine,N-(2-fluoro-2,2-dinitroethyl)-N,2,2,2-tetranitro- are: (1)ACD/LogP: 9.57; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 9.57; (4)ACD/LogD (pH 7.4): 9.57; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3821072.5; (8)ACD/KOC (pH 7.4): 3821072.5; (9)#H bond acceptors: 19; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 278.16 Å2; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 60.53 cm3; (15)Molar Volume: 184 cm3; (16)Polarizability: 23.99×10-24cm3; (17)Surface Tension: 90.7 dyne/cm; (18)Density: 1.962 g/cm3; (19)Flash Point: 246.3 °C; (20)Enthalpy of Vaporization: 74.88 kJ/mol; (21)Boiling Point: 483.6 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)N(CC(F)([N+]([O-])=O)[N+]([O-])=O)CC([N+](=O)[O-])([N+]([O-])=O)[N+]([O-])=O
(2)Std. InChI: InChI=1S/C4H4FN7O12/c5-3(7(13)14,8(15)16)1-6(12(23)24)2-4(9(17)18,10(19)20)11(21)22/h1-2H2
(3)Std. InChIKey: URDZLMZOIWPZNZ-UHFFFAOYSA-N