1-(cyclopentylmethyl)-3-(4-fluorophenyl)pyrrolidine

• ChemBase ID: 445113
• Molecular Formular: C16H22FN
• Molecular Mass: 247.3509832
• Monoisotopic Mass: 247.17362793
• SMILES: N1(CC(c2ccc(cc2)F)CC1)CC1CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCN(C1)CC1CCCC1
• InChI: InChI=1S/C16H22FN/c17-16-7-5-14(6-8-16)15-9-10-18(12-15)11-13-3-1-2-4-13/h5-8,13,15H,1-4,9-12H2
• InChIKey: JJUDALMSKMJRTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopentylmethyl)-3-(4-fluorophenyl)pyrrolidine
• IUPAC Traditional name: 1-(cyclopentylmethyl)-3-(4-fluorophenyl)pyrrolidine
• Synonyms: 1-(cyclopentylmethyl)-3-(4-fluorophenyl)pyrrolidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.42990586
• LogD (pH = 7.4): 1.148777
• Log P: 3.9071603
• Molar Refractivity: 73.4561 cm^3
• Polarizability: 28.38557 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.18
• LOG S: -3.57
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3