6,8-difluoro-2H-chromene

• ChemBase ID: 275678
• Molecular Formular: C9H6F2O
• Molecular Mass: 168.1401464
• Monoisotopic Mass: 168.03867125
• SMILES: c12c(cc(cc1F)F)C=CCO2
• Canonical SMILES: Fc1cc2C=CCOc2c(c1)F
• InChI: InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2
• InChIKey: DRQKJKGKLYCHHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,8-difluoro-2H-chromene
• IUPAC Traditional name: 6,8-difluoro-2H-chromene
• Synonyms: 6,8-difluoro-2H-chromene

Database IDs

• MDL Number: MFCD10688518
• PubChem SID: 164331588
• PubChem CID: 45043272

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4621215
• LogD (pH = 7.4): 2.4621215
• Log P: 2.4621215
• Molar Refractivity: 41.8272 cm^3
• Polarizability: 15.041949 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.976

Product Information

• Purity: 95%