6-fluoro-2,3-dihydro-1H-indole

• ChemBase ID: 265804
• Molecular Formular: C8H8FN
• Molecular Mass: 137.1542232
• Monoisotopic Mass: 137.06407748
• SMILES: c12NCCc2ccc(c1)F
• Canonical SMILES: Fc1ccc2c(c1)NCC2
• InChI: InChI=1S/C8H8FN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5,10H,3-4H2
• InChIKey: PBLNKUULIMDAIC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2343-23-9
• MDL Number: MFCD00022791
• PubChem SID: 164321714
• PubChem CID: 260400

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6205367
• LogD (pH = 7.4): 1.6285118
• Log P: 1.6286144
• Molar Refractivity: 39.7778 cm^3
• Polarizability: 14.003944 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.221

Product Information

• Purity: 95%; 98%