2-(cyclopentyloxy)-4-fluoroaniline

• ChemBase ID: 240857
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: c1(cc(ccc1N)F)OC1CCCC1
• Canonical SMILES: Nc1ccc(cc1OC1CCCC1)F
• InChI: InChI=1S/C11H14FNO/c12-8-5-6-10(13)11(7-8)14-9-3-1-2-4-9/h5-7,9H,1-4,13H2
• InChIKey: OZKPFCQCDYGDBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclopentyloxy)-4-fluoroaniline
• IUPAC Traditional name: 2-(cyclopentyloxy)-4-fluoroaniline
• Synonyms: 2-(cyclopentyloxy)-4-fluoroaniline

Database IDs

• MDL Number: MFCD09730450
• PubChem SID: 164296767
• PubChem CID: 16783735

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4735456
• LogD (pH = 7.4): 2.4839184
• Log P: 2.4840524
• Molar Refractivity: 53.8512 cm^3
• Polarizability: 20.289467 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.01

Product Information

• Purity: 95%