2-{1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl}pyridine

• ChemBase编号: 499473
• 分子式: C19H19FN2O
• 平均质量: 310.3653632
• 单一同位素质量: 310.14814146
• SMILES: C1(C(=O)N2C(c3ncccc3)CCC2)(CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1(CC1)C(=O)N1CCCC1c1ccccn1
• InChI: InChI=1S/C19H19FN2O/c20-15-8-6-14(7-9-15)19(10-11-19)18(23)22-13-3-5-17(22)16-4-1-2-12-21-16/h1-2,4,6-9,12,17H,3,5,10-11,13H2
• InChIKey: CZZVBEOJPBVQMN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl}pyridine
• IUPAC传统名: 2-{1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl}pyridine
• 别名: 2-(1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}-2-pyrrolidinyl)pyridine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.2211342
• LogD (pH = 7.4): 3.2352238
• Log P: 3.2354066
• 摩尔折射率: 85.6907 cm^3
• 极化性: 33.152992 Å^3
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.29
• LOG S: -2.12
• 极化表面积: 33.2 Å^2
• 可自由旋转的化学键: 3