N-cyclopentyl-2-fluoroaniline

• ChemBase ID: 283351
• Molecular Formular: C11H14FN
• Molecular Mass: 179.2339632
• Monoisotopic Mass: 179.11102767
• SMILES: N(c1c(F)cccc1)C1CCCC1
• Canonical SMILES: Fc1ccccc1NC1CCCC1
• InChI: InChI=1S/C11H14FN/c12-10-7-3-4-8-11(10)13-9-5-1-2-6-9/h3-4,7-9,13H,1-2,5-6H2
• InChIKey: FNUXCYMFOFEOTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-fluoroaniline
• IUPAC Traditional name: N-cyclopentyl-2-fluoroaniline
• Synonyms: N-cyclopentyl-2-fluoroaniline

Database IDs

• MDL Number: MFCD11145296
• PubChem SID: 180668882
• PubChem CID: 28468392

CALCULATED PROPERTIES

• Acid pKa: 17.33713
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9388213
• LogD (pH = 7.4): 2.9433694
• Log P: 2.9434278
• Molar Refractivity: 52.8814 cm^3
• Polarizability: 19.59661 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.558

Product Information

• Purity: 95%