7-fluoro-1,2,3,4-tetrahydronaphthalen-2-one

• ChemBase ID: 812739
• Molecular Formular: C10H9FO
• Molecular Mass: 164.1762632
• Monoisotopic Mass: 164.06374313
• SMILES: C1(=O)CCc2c(C1)cc(cc2)F
• Canonical SMILES: Fc1cc2CC(=O)CCc2cc1
• InChI: InChI=1S/C10H9FO/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5H,2,4,6H2
• InChIKey: NQMQVBHBOBSOSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1,2,3,4-tetrahydronaphthalen-2-one
• IUPAC Traditional name: 7-fluoro-3,4-dihydro-1H-naphthalen-2-one
• Synonyms: 7-FLUORO-2-TETRALONE

Database IDs

• CAS Number: 29419-15-6

CALCULATED PROPERTIES

• Molar Refractivity: 44.398 cm^3
• Polarizability: 16.696314 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 14.6891165
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3889842
• LogD (pH = 7.4): 2.3889842
• Log P: 2.3889842

PROPERTIES

Product Information

• Purity: 98%