decafluorocyclohexane-1-carbonyl fluoride

• ChemBase编号: 57330
• 分子式: C7HF11O
• 平均质量: 310.0646752
• 单一同位素质量: 309.98517507
• SMILES: C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)C(=O)F)(F)F
• Canonical SMILES: FC(=O)C1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C7HF11O/c8-2(19)1-3(9,10)5(13,14)7(17,18)6(15,16)4(1,11)12/h1H
• InChIKey: LZESMEMAZGBPLG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: decafluorocyclohexane-1-carbonyl fluoride
• IUPAC传统名: decafluorocyclohexane-1-carbonyl fluoride
• 别名: 2,2,3,3,4,4,5,5,6,6-Decafluorocyclohexane-carbonyl fluoride

登记号

• CAS号: 6588-63-2
• MDL号: MFCD12198101
• PubChem SID: 162062093
• PubChem CID: 45790885

理论计算性质

• Acid pKa: -1.415328
• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 1.3170848
• LogD (pH = 7.4): 1.3170782
• Log P: 3.4162672
• 摩尔折射率: 33.4044 cm^3
• 极化性: 13.2233305 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

安全信息

• 保存注意事项: IRRITANT
• TSCA收录: false