5,7-difluoro-2,3-dihydro-1-benzofuran

• ChemBase ID: 8945
• Molecular Formular: C8H6F2O
• Molecular Mass: 156.1294464
• Monoisotopic Mass: 156.03867125
• SMILES: c1(cc(c2c(c1)CCO2)F)F
• Canonical SMILES: Fc1cc(F)c2c(c1)CCO2
• InChI: InChI=1S/C8H6F2O/c9-6-3-5-1-2-11-8(5)7(10)4-6/h3-4H,1-2H2
• InChIKey: UTACBIJGRPIWCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-difluoro-2,3-dihydro-1-benzofuran
• IUPAC Traditional name: 5,7-difluoro-2,3-dihydro-1-benzofuran
• Synonyms: 5,7-Difluoro-2,3-dihydro-1-benzofuran; 5,7-Difluoro-2,3-dihydrobenzo[b]furan 97%; 5,7-Difluoro-2,3-dihydrobenzo[b]furan; 5,7-Difluoro-2,3-dihydrobenzofuran

Database IDs

• CAS Number: 175203-20-0
• MDL Number: MFCD00068038
• PubChem SID: 160972252
• PubChem CID: 2736964

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.140867
• LogD (pH = 7.4): 2.140867
• Log P: 2.140867
• Molar Refractivity: 36.2636 cm^3
• Polarizability: 13.346521 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 141°C/15mm

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 97%