6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride

• ChemBase编号: 121471
• 分子式: C14H19ClFN
• 平均质量: 255.7587632
• 单一同位素质量: 255.11900551
• SMILES: N1c2c(C(CC31CCCC3)C)cc(cc2)F.Cl
• Canonical SMILES: Fc1ccc2c(c1)C(C)CC1(N2)CCCC1.Cl
• InChI: InChI=1S/C14H18FN.ClH/c1-10-9-14(6-2-3-7-14)16-13-5-4-11(15)8-12(10)13;/h4-5,8,10,16H,2-3,6-7,9H2,1H3;1H
• InChIKey: DYEOQGQEWUINTN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride
• IUPAC传统名: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride
• 别名: 6'-fluoro-4'-methyl-3',4'-dihydro-1'H-spiro[cyclopentane-1,2'-quinoline] hydrochloride

登记号

• PubChem SID: 162215824
• PubChem CID: 17037736

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.5506756
• LogD (pH = 7.4): 3.6374457
• Log P: 3.6386728
• 摩尔折射率: 65.2302 cm^3
• 极化性: 24.31203 Å^3
• 极化表面积: 12.03 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: HCl