2,2-bis(morpholin-4-yl)-4,6-bis(trifluoromethyl)-1,3,5,2$l^{5}-triazaphosphinine

• ChemBase编号: 95827
• 分子式: C12H16F6N5O2P
• 平均质量: 407.2519202
• 单一同位素质量: 407.09458073
• SMILES: P1(=NC(=NC(=N1)C(F)(F)F)C(F)(F)F)(N1CCOCC1)N1CCOCC1
• Canonical SMILES: FC(C1=NC(=NP(=N1)(N1CCOCC1)N1CCOCC1)C(F)(F)F)(F)F
• InChI: InChI=1S/C12H16F6N5O2P/c13-11(14,15)9-19-10(12(16,17)18)21-26(20-9,22-1-5-24-6-2-22)23-3-7-25-8-4-23/h1-8H2
• InChIKey: LQFCDVIWFLDPRP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2-bis(morpholin-4-yl)-4,6-bis(trifluoromethyl)-1,3,5,2$l^{5}-triazaphosphinine
• IUPAC传统名: 2,2-bis(morpholin-4-yl)-4,6-bis(trifluoromethyl)-1,3,5,2$l^{5}-triazaphosphinine
• 别名: 4-[2-morpholino-4,6-di(trifluoromethyl)-1,3,5,2lambda~5~-triazaphosphinin-2-yl]morpholine

登记号

• MDL号: MFCD00519734
• PubChem SID: 162082476
• PubChem CID: 2780473

理论计算性质

• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): -0.14568588
• LogD (pH = 7.4): -0.14568324
• Log P: -0.14568321
• 摩尔折射率: 79.4174 cm^3
• 极化性: 29.793512 Å^3
• 极化表面积: 62.02 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true