4-hydrazinyl-2-(trifluoromethyl)quinoline

• ChemBase ID: 95934
• Molecular Formular: C10H8F3N3
• Molecular Mass: 227.1858296
• Monoisotopic Mass: 227.06703193
• SMILES: n1c(cc(c2ccccc12)NN)C(F)(F)F
• Canonical SMILES: NNc1cc(nc2c1cccc2)C(F)(F)F
• InChI: InChI=1S/C10H8F3N3/c11-10(12,13)9-5-8(16-14)6-3-1-2-4-7(6)15-9/h1-5H,14H2,(H,15,16)
• InChIKey: UDBNRPMWZIXBNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-2-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-hydrazinyl-2-(trifluoromethyl)quinoline
• Synonyms: 1-[2-(Trifluoromethyl)quinolin-4-yl]hydrazine; 4-Hydrazino-2-(trifluoromethyl)quinoline

Database IDs

• MDL Number: MFCD00209344
• PubChem SID: 162082583
• PubChem CID: 278835

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.5869777
• LogD (pH = 7.4): 2.7830713
• Log P: 2.7862418
• Molar Refractivity: 55.2877 cm^3
• Polarizability: 20.515938 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Air Sensitive/Store Cold