6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

• ChemBase ID: 255047
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: C(c1cc2c(NCCC2)cc1)(F)(F)F
• Canonical SMILES: FC(c1ccc2c(c1)CCCN2)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-3-4-9-7(6-8)2-1-5-14-9/h3-4,6,14H,1-2,5H2
• InChIKey: SQJQPDGTZCRFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
• IUPAC Traditional name: 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
• Synonyms: 6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

Database IDs

• MDL Number: MFCD09730836
• PubChem SID: 164310957
• PubChem CID: 12647571

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7339742
• LogD (pH = 7.4): 2.8073094
• Log P: 2.8083296
• Molar Refractivity: 50.1361 cm^3
• Polarizability: 17.293621 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.597

Product Information

• Purity: 95%