4-(cyclopentylmethoxy)-3-fluoroaniline

• ChemBase ID: 20406
• Molecular Formular: C12H16FNO
• Molecular Mass: 209.2599432
• Monoisotopic Mass: 209.12159236
• SMILES: c1(cc(N)ccc1OCC1CCCC1)F
• Canonical SMILES: Nc1ccc(c(c1)F)OCC1CCCC1
• InChI: InChI=1S/C12H16FNO/c13-11-7-10(14)5-6-12(11)15-8-9-3-1-2-4-9/h5-7,9H,1-4,8,14H2
• InChIKey: XXONWNHQSNEALI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(cyclopentylmethoxy)-3-fluoroaniline
• IUPAC Traditional name: 4-(cyclopentylmethoxy)-3-fluoroaniline
• Synonyms: 4-(Cyclopentylmethoxy)-3-fluoroaniline

Database IDs

• MDL Number: MFCD08687511
• PubChem SID: 160983713
• PubChem CID: 26190113

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7802758
• LogD (pH = 7.4): 2.7988234
• Log P: 2.799065
• Molar Refractivity: 58.582 cm^3
• Polarizability: 22.123764 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false