2-(4-fluorophenyl)-1-(furan-2-carbonyl)azetidine

• ChemBase ID: 519636
• Molecular Formular: C14H12FNO2
• Molecular Mass: 245.2489832
• Monoisotopic Mass: 245.08520685
• SMILES: N1(C(=O)c2occc2)C(CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1CCN1C(=O)c1ccco1
• InChI: InChI=1S/C14H12FNO2/c15-11-5-3-10(4-6-11)12-7-8-16(12)14(17)13-2-1-9-18-13/h1-6,9,12H,7-8H2
• InChIKey: FPEKGMZQIBYNRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)azetidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)azetidine
• Synonyms: 2-(4-fluorophenyl)-1-(2-furoyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1468618
• LogD (pH = 7.4): 2.1468618
• Log P: 2.1468618
• Molar Refractivity: 64.7163 cm^3
• Polarizability: 24.119106 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.0
• LOG S: -2.7
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 2