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Search term: QGDGMWWETZZZOC-UHFFFAOYAW
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Inherent Properties, Identifiers and References
ChemSpider ID: 344226
Empirical Formula: C10H12F4N10O17
Molecular Weight: 620.2527
Nominal Mass: 620 Da
Average Mass: 620.2527 Da
Monoisotopic Mass: 620.031802 Da
Systematic Name: N-[[bis(2-fluoro-2,2-dinitro-ethyl)amino]methoxymethyl]-2-fluoro-​N-(2-fluoro-2,2-dinitro-ethyl)-2,2-dinitro-ethanamine
SMILES: FC(CN(COCN(CC(F)([N+]([O-])=O)[N+]([O-])=O)CC(F)([N+]([O-])=O)[N+​]([O-])=O)CC(F)([N+]([O-])=O)[N+]([O-])=O)([N+]([O-])=O)[N+]([O-]​)=O
InChI: InChI=1/C10H12F4N10O17/c11-7(17(25)26,18(27)28)1-15(2-8(12,19(29)​30)20(31)32)5-41-6-16(3-9(13,21(33)34)22(35)36)4-10(14,23(37)38)2​4(39)40/h1-6H2
InChIKey: QGDGMWWETZZZOC-UHFFFAOYAW
Std. InChI: InChI=1S/C10H12F4N10O17/c11-7(17(25)26,18(27)28)1-15(2-8(12,19(29​)30)20(31)32)5-41-6-16(3-9(13,21(33)34)22(35)36)4-10(14,23(37)38)​24(39)40/h1-6H2
Std. InChIKey: QGDGMWWETZZZOC-UHFFFAOYSA-N
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Names and Synonyms

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Ethanamin​e, N,N'-[​oxybis(me​thylene)]​bis[2-flu​oro-N-(2-​fluoro-2,​2-dinitro​ethyl)-2,​2-dinitro-

Database ID(s)

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ACD/LogP: 19.40 # of Rule of 5 Violations: 3
ACD/LogD (pH 5.5): 19.4 ACD/LogD (pH 7.4): 19.4
ACD/BCF (pH 5.5): 1000000 ACD/BCF (pH 7.4): 1000000
ACD/KOC (pH 5.5): 10000000 ACD/KOC (pH 7.4): 10000000
#H bond acceptors: 27 #H bond donors: 0
#Freely Rotating Bonds: 20 Polar Surface Area: 382.27 Å2
Index of Refraction: 1.54 Molar Refractivity: 106.26 cm3
Molar Volume: 338.6 cm3 Polarizability: 42.12 10-24cm3
Surface Tension: 72.3 dyne/cm Density: 1.831 g/cm3
Flash Point: 307.9 °C Enthalpy of Vaporization: 87.47 kJ/mol
Boiling Point: 585.6 °C at 760 mmHg Vapour Pressure: 1.07E-13 mmHg at 25°C