7-fluoro-1-methyl-1,2,3,4-tetrahydroquinoxaline

• ChemBase ID: 284706
• Molecular Formular: C9H11FN2
• Molecular Mass: 166.1954432
• Monoisotopic Mass: 166.09062658
• SMILES: c12N(CCNc2ccc(c1)F)C
• Canonical SMILES: Fc1ccc2c(c1)N(C)CCN2
• InChI: InChI=1S/C9H11FN2/c1-12-5-4-11-8-3-2-7(10)6-9(8)12/h2-3,6,11H,4-5H2,1H3
• InChIKey: OKDVTYCZSDCCHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-1-methyl-1,2,3,4-tetrahydroquinoxaline
• IUPAC Traditional name: 7-fluoro-1-methyl-3,4-dihydro-2H-quinoxaline
• Synonyms: 7-fluoro-1-methyl-1,2,3,4-tetrahydroquinoxaline

Database IDs

• MDL Number: MFCD20731130
• PubChem SID: 180670237
• PubChem CID: 56806841

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4646815
• LogD (pH = 7.4): 1.524427
• Log P: 1.5252448
• Molar Refractivity: 48.9278 cm^3
• Polarizability: 17.06857 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.339

Product Information

• Purity: 95%