1-bromo-6-fluoro-2,3-dihydro-1H-indene

• ChemBase ID: 286331
• Molecular Formular: C9H8BrF
• Molecular Mass: 215.0622232
• Monoisotopic Mass: 213.97934048
• SMILES: c12c(CCC1Br)ccc(c2)F
• Canonical SMILES: Fc1ccc2c(c1)C(Br)CC2
• InChI: InChI=1S/C9H8BrF/c10-9-4-2-6-1-3-7(11)5-8(6)9/h1,3,5,9H,2,4H2
• InChIKey: FXUWRVDNJUZFRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-6-fluoro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1-bromo-6-fluoro-2,3-dihydro-1H-indene
• Synonyms: 1-bromo-6-fluoro-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD11219631
• PubChem SID: 180671862
• PubChem CID: 61384892

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.4329093
• LogD (pH = 7.4): 3.4329093
• Log P: 3.4329093
• Molar Refractivity: 46.7056 cm^3
• Polarizability: 17.487167 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.701

Product Information

• Purity: 95%