2-(4-chloro-3-fluorophenyl)oxolan-3-amine

• ChemBase ID: 246810
• Molecular Formular: C10H11ClFNO
• Molecular Mass: 215.6518432
• Monoisotopic Mass: 215.05131988
• SMILES: c1(C2OCCC2N)cc(c(cc1)Cl)F
• Canonical SMILES: NC1CCOC1c1ccc(c(c1)F)Cl
• InChI: InChI=1S/C10H11ClFNO/c11-7-2-1-6(5-8(7)12)10-9(13)3-4-14-10/h1-2,5,9-10H,3-4,13H2
• InChIKey: ILGZVSPVFCLHES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-3-fluorophenyl)oxolan-3-amine
• IUPAC Traditional name: 2-(4-chloro-3-fluorophenyl)oxolan-3-amine
• Synonyms: 2-(4-chloro-3-fluorophenyl)oxolan-3-amine

Database IDs

• MDL Number: MFCD21864308
• PubChem SID: 164302720
• PubChem CID: 71683253

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1429776
• LogD (pH = 7.4): 0.018132031
• Log P: 1.8067544
• Molar Refractivity: 52.8329 cm^3
• Polarizability: 20.778822 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.71

Product Information

• Purity: 95%