N-benzyl-1-(fluoromethyl)cyclopentan-1-amine

• ChemBase ID: 278821
• Molecular Formular: C13H18FN
• Molecular Mass: 207.2871232
• Monoisotopic Mass: 207.1423278
• SMILES: N(C1(CF)CCCC1)Cc1ccccc1
• Canonical SMILES: FCC1(NCc2ccccc2)CCCC1
• InChI: InChI=1S/C13H18FN/c14-11-13(8-4-5-9-13)15-10-12-6-2-1-3-7-12/h1-3,6-7,15H,4-5,8-11H2
• InChIKey: GTIZHARRTSJOAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-1-(fluoromethyl)cyclopentan-1-amine
• IUPAC Traditional name: N-benzyl-1-(fluoromethyl)cyclopentan-1-amine
• Synonyms: N-benzyl-1-(fluoromethyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD20233531
• PubChem SID: 164334731
• PubChem CID: 54595005

CALCULATED PROPERTIES

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.1275254
• LogD (pH = 7.4): 1.7573706
• Log P: 3.011055
• Molar Refractivity: 60.209 cm^3
• Polarizability: 23.692945 Å^3
• Polar Surface Area: 12.03 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.224

Product Information

• Purity: 95%