5-fluoro-2-methyl-2,3-dihydro-1H-indole

• ChemBase ID: 291951
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: CC1Nc2c(cc(F)cc2)C1
• Canonical SMILES: CC1Nc2c(C1)cc(cc2)F
• InChI: InChI=1S/C9H10FN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-3,5-6,11H,4H2,1H3
• InChIKey: DATGDQQKEPRIPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 825-70-7
• MDL Number: MFCD19300982
• PubChem SID: 180677482
• PubChem CID: 11228897

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9892325
• LogD (pH = 7.4): 2.044438
• Log P: 2.0451894
• Molar Refractivity: 44.1966 cm^3
• Polarizability: 15.839711 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%