6-fluoro-3,4-dihydro-2H-1-benzopyran

• ChemBase ID: 806419
• Molecular Formular: C9H9FO
• Molecular Mass: 152.1655632
• Monoisotopic Mass: 152.06374313
• SMILES: C1COc2ccc(cc2C1)F
• Canonical SMILES: Fc1ccc2c(c1)CCCO2
• InChI: InChI=1S/C9H9FO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
• InChIKey: AADYIFLRRCYLRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-3,4-dihydro-2H-1-benzopyran
• IUPAC Traditional name: 6-fluoro-3,4-dihydro-2H-1-benzopyran
• Synonyms: 6-FLUOROCHROMAN

Database IDs

• CAS Number: 82070-01-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4427338
• LogD (pH = 7.4): 2.4427338
• Log P: 2.4427338
• Molar Refractivity: 40.6482 cm^3
• Polarizability: 15.3901415 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%