[2-(difluoromethyl)cyclopentyl]methanamine

• ChemBase ID: 240167
• Molecular Formular: C7H13F2N
• Molecular Mass: 149.1816264
• Monoisotopic Mass: 149.10160586
• SMILES: C1(C(F)F)C(CN)CCC1
• Canonical SMILES: NCC1CCCC1C(F)F
• InChI: InChI=1S/C7H13F2N/c8-7(9)6-3-1-2-5(6)4-10/h5-7H,1-4,10H2
• InChIKey: MDPFZCHMICQPOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(difluoromethyl)cyclopentyl]methanamine
• IUPAC Traditional name: [2-(difluoromethyl)cyclopentyl]methanamine
• Synonyms: [2-(difluoromethyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD22392079
• PubChem SID: 164296077
• PubChem CID: 71756482

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.0093577
• LogD (pH = 7.4): -1.5897664
• Log P: 1.014637
• Molar Refractivity: 35.7864 cm^3
• Polarizability: 13.897192 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.092

Product Information

• Purity: 95%