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

• ChemBase ID: 240915
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: C(C1c2c(NCC1)cccc2)(F)(F)F
• Canonical SMILES: FC(C1CCNc2c1cccc2)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-5-6-14-9-4-2-1-3-7(8)9/h1-4,8,14H,5-6H2
• InChIKey: RMSJJHZOMXZVMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578457
• PubChem SID: 164296825
• PubChem CID: 71695407

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.48559
• LogD (pH = 7.4): 2.4946775
• Log P: 2.4947946
• Molar Refractivity: 49.5689 cm^3
• Polarizability: 17.302267 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.478

Product Information

• Purity: 95%