1-ethyl-3,5-difluorobenzene

• ChemBase ID: 294032
• Molecular Formular: C8H8F2
• Molecular Mass: 142.1459264
• Monoisotopic Mass: 142.0594067
• SMILES: CCc1cc(F)cc(F)c1
• Canonical SMILES: CCc1cc(F)cc(c1)F
• InChI: InChI=1S/C8H8F2/c1-2-6-3-7(9)5-8(10)4-6/h3-5H,2H2,1H3
• InChIKey: PFINYKRPUJCMCT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 117358-52-8
• MDL Number: MFCD10000628
• PubChem SID: 180679563
• PubChem CID: 20352892

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.2166398
• LogD (pH = 7.4): 3.2166398
• Log P: 3.2166398
• Molar Refractivity: 36.133 cm^3
• Polarizability: 13.299217 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%