2-(trifluoromethyl)cyclopentan-1-amine

• ChemBase编号: 179092
• 分子式: C6H10F3N
• 平均质量: 153.1455096
• 单一同位素质量: 153.07653399
• SMILES: C1C(C(CC1)N)C(F)(F)F
• Canonical SMILES: NC1CCCC1C(F)(F)F
• InChI: InChI=1S/C6H10F3N/c7-6(8,9)4-2-1-3-5(4)10/h4-5H,1-3,10H2
• InChIKey: CPYZHYSCBMUTQT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(trifluoromethyl)cyclopentan-1-amine
• IUPAC传统名: 2-(trifluoromethyl)cyclopentan-1-amine
• 别名: 2-(trifluoromethyl)cyclopentan-1-amine; 2-(Trifluoromethyl)cyclopentanamine

登记号

• CAS号: 1260678-84-9
• MDL号: MFCD11848000
• PubChem SID: 164235002
• PubChem CID: 53403824

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.8939412
• LogD (pH = 7.4): -1.3706621
• Log P: 1.3056906
• 摩尔折射率: 31.5845 cm^3
• 极化性: 11.997228 Å^3
• 极化表面积: 26.02 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 0.951

产品相关信息

• 纯度: 95%

详细说明

Toronto Research Chemicals - T791235

A haloalkyl substituted cyclopentanamine.