1-butoxy-3,5-difluorobenzene

• ChemBase ID: 180250
• Molecular Formular: C10H12F2O
• Molecular Mass: 186.1984864
• Monoisotopic Mass: 186.08562144
• SMILES: c1(cc(cc(c1)OCCCC)F)F
• Canonical SMILES: CCCCOc1cc(F)cc(c1)F
• InChI: InChI=1S/C10H12F2O/c1-2-3-4-13-10-6-8(11)5-9(12)7-10/h5-7H,2-4H2,1H3
• InChIKey: DXOWXCOJMHANEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-butoxy-3,5-difluorobenzene
• IUPAC Traditional name: 1-butoxy-3,5-difluorobenzene
• Synonyms: 1-butoxy-3,5-difluorobenzene

Database IDs

• CAS Number: 123843-64-1
• PubChem SID: 164236160
• PubChem CID: 19010183

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4248774
• LogD (pH = 7.4): 3.4248774
• Log P: 3.4248774
• Molar Refractivity: 46.8276 cm^3
• Polarizability: 17.748768 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true