(1R,2S)-2-fluorocyclopentan-1-amine

• ChemBase编号: 169105
• 分子式: C5H10FN
• 平均质量: 103.1380032
• 单一同位素质量: 103.07972755
• SMILES: C1[C@@H]([C@@H](CC1)N)F
• Canonical SMILES: F[C@H]1CCC[C@H]1N
• InChI: InChI=1S/C5H10FN/c6-4-2-1-3-5(4)7/h4-5H,1-3,7H2/t4-,5+/m0/s1
• InChIKey: SYDPJQJXMGPZQF-CRCLSJGQSA-N

名称和登记号

名称

• IUPAC标准名: (1R,2S)-2-fluorocyclopentan-1-amine
• IUPAC传统名: (1R,2S)-2-fluorocyclopentan-1-amine
• 别名: (1R,2S)-2-Fluorocyclopentanamine Hydrochloride

登记号

• PubChem SID: 162263237
• PubChem CID: 53302324

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -2.4058034
• LogD (pH = 7.4): -1.2512434
• Log P: 0.5454312
• 摩尔折射率: 26.0014 cm^3
• 极化性: 10.443112 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Off-White Solid
• 熔点: 223-226°C (dec.)

详细说明

Toronto Research Chemicals - F588860

A cyclopentanamine used in the preparation of heterocyclic and aromatic ureas and amides as CEPT inhibitors