1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane

• ChemBase编号: 97593
• 分子式: C10H12F9I
• 平均质量: 430.0923788
• 单一同位素质量: 429.98400236
• SMILES: FC(C(C(C(F)(F)F)(F)CC(CCCC)I)(F)F)(F)F
• Canonical SMILES: CCCCC(CC(C(C(F)(F)F)(F)F)(C(F)(F)F)F)I
• InChI: InChI=1S/C10H12F9I/c1-2-3-4-6(20)5-7(11,9(14,15)16)8(12,13)10(17,18)19/h6H,2-5H2,1H3
• InChIKey: YOEXYNDIPQDOLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
• IUPAC传统名: 1,1,1,2,2,3-hexafluoro-5-iodo-3-(trifluoromethyl)nonane
• 别名: 1,1,1,2,2,3-Hexafluoro-3-(trifluoromethyl)-5-iodononane 97%

登记号

• MDL号: MFCD00155867
• PubChem SID: 162084190
• PubChem CID: 2775062

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.031565
• LogD (pH = 7.4): 6.031565
• Log P: 6.031565
• 摩尔折射率: 62.3321 cm^3
• 极化性: 23.760746 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: Irritant