1-chloro-4-fluoro-2,3-dihydro-1H-indene

• ChemBase ID: 242249
• Molecular Formular: C9H8ClF
• Molecular Mass: 170.6112232
• Monoisotopic Mass: 170.02985616
• SMILES: c12c(C(CC1)Cl)cccc2F
• Canonical SMILES: ClC1CCc2c1cccc2F
• InChI: InChI=1S/C9H8ClF/c10-8-5-4-7-6(8)2-1-3-9(7)11/h1-3,8H,4-5H2
• InChIKey: RMIOCEWOZOFGFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-fluoro-2,3-dihydro-1H-indene
• IUPAC Traditional name: 1-chloro-4-fluoro-2,3-dihydro-1H-indene
• Synonyms: 1-chloro-4-fluoro-2,3-dihydro-1H-indene

Database IDs

• MDL Number: MFCD11219559
• PubChem SID: 164298159
• PubChem CID: 61384827

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.247414
• LogD (pH = 7.4): 3.247414
• Log P: 3.247414
• Molar Refractivity: 43.7221 cm^3
• Polarizability: 16.54589 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.481

Product Information

• Purity: 95%