4-(4-fluorophenoxy)butanenitrile

• ChemBase ID: 255255
• Molecular Formular: C10H10FNO
• Molecular Mass: 179.1909032
• Monoisotopic Mass: 179.07464217
• SMILES: N#CCCCOc1ccc(F)cc1
• Canonical SMILES: N#CCCCOc1ccc(cc1)F
• InChI: InChI=1S/C10H10FNO/c11-9-3-5-10(6-4-9)13-8-2-1-7-12/h3-6H,1-2,8H2
• InChIKey: VKAVNVYGDUPOOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluorophenoxy)butanenitrile
• IUPAC Traditional name: 4-(4-fluorophenoxy)butanenitrile
• Synonyms: 4-(4-fluorophenoxy)butanenitrile

Database IDs

• MDL Number: MFCD07352242
• PubChem SID: 164311165
• PubChem CID: 8024314

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.0198827
• LogD (pH = 7.4): 2.0198827
• Log P: 2.0198827
• Molar Refractivity: 47.2559 cm^3
• Polarizability: 17.89121 Å^3
• Polar Surface Area: 33.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.161

Product Information

• Purity: 95%