5-fluoro-2,3-dihydro-1H-indene

• ChemBase ID: 292051
• Molecular Formular: C9H9F
• Molecular Mass: 136.1661632
• Monoisotopic Mass: 136.06882851
• SMILES: Fc1cc2c(CCC2)cc1
• Canonical SMILES: Fc1ccc2c(c1)CCC2
• InChI: InChI=1S/C9H9F/c10-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2
• InChIKey: XNSBRSZLJZUOJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 5-fluoro-2,3-dihydro-1H-indene
• Synonyms: 5-Fluoro-2,3-dihydro-1H-indene

Database IDs

• CAS Number: 37530-82-8
• PubChem SID: 180677582
• PubChem CID: 18993495

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1236334
• LogD (pH = 7.4): 3.1236334
• Log P: 3.1236334
• Molar Refractivity: 39.1556 cm^3
• Polarizability: 14.616055 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%