4-hydrazinyl-6-(trifluoromethyl)quinoline

• ChemBase ID: 93717
• Molecular Formular: C10H8F3N3
• Molecular Mass: 227.1858296
• Monoisotopic Mass: 227.06703193
• SMILES: n1ccc(c2cc(ccc12)C(F)(F)F)NN
• Canonical SMILES: NNc1ccnc2c1cc(cc2)C(F)(F)F
• InChI: InChI=1S/C10H8F3N3/c11-10(12,13)6-1-2-8-7(5-6)9(16-14)3-4-15-8/h1-5H,14H2,(H,15,16)
• InChIKey: UQTCZKQPNYYCTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-6-(trifluoromethyl)quinoline
• IUPAC Traditional name: 4-hydrazinyl-6-(trifluoromethyl)quinoline
• Synonyms: 4-Hydrazino-6-(trifluoromethyl)quinoline; 4-hydrazinyl-6-(trifluoromethyl)quinoline

Database IDs

• PubChem SID: 162104895
• PubChem CID: 17039908

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7187212
• LogD (pH = 7.4): 2.3765852
• Log P: 2.4003916
• Molar Refractivity: 55.6597 cm^3
• Polarizability: 20.511578 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