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

• ChemBase ID: 97822
• Molecular Formular: C8H8FN
• Molecular Mass: 137.1542232
• Monoisotopic Mass: 137.06407748
• SMILES: N1c2cccc(c2CC1)F
• Canonical SMILES: Fc1cccc2c1CCN2
• InChI: InChI=1S/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
• InChIKey: CMQOXZRRFDMQKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2,3-dihydro-1H-indole
• IUPAC Traditional name: 4-fluoro-2,3-dihydro-1H-indole
• Synonyms: 2,3-Dihydro-4-fluoro-1H-indole; 4-Fluoroindoline

Database IDs

• CAS Number: 552866-98-5
• MDL Number: MFCD07371634
• PubChem SID: 162084361
• PubChem CID: 16244440

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.6162869
• LogD (pH = 7.4): 1.628457
• Log P: 1.6286144
• Molar Refractivity: 39.7778 cm^3
• Polarizability: 14.0055485 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful

Product Information

• Purity: 95+%; 97%