1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-({5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl}methylidene)hydrazine

• ChemBase ID: 96526
• Molecular Formular: C19H8Cl4F6N2O
• Molecular Mass: 536.0820392
• Monoisotopic Mass: 533.92949293
• SMILES: o1c(ccc1/C=N/Nc1c(cc(cc1Cl)C(F)(F)F)Cl)c1c(cc(cc1Cl)C(F)(F)F)Cl
• Canonical SMILES: Clc1cc(cc(c1N/N=C/c1ccc(o1)c1c(Cl)cc(cc1Cl)C(F)(F)F)Cl)C(F)(F)F
• InChI: InChI=1S/C19H8Cl4F6N2O/c20-11-3-8(18(24,25)26)4-12(21)16(11)15-2-1-10(32-15)7-30-31-17-13(22)5-9(6-14(17)23)19(27,28)29/h1-7,31H
• InChIKey: GRTJQRCTEXFQLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-({5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl}methylidene)hydrazine
• IUPAC Traditional name: 1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-({5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl}methylidene)hydrazine
• Synonyms: 5-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2-furaldehyde 2-[2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazone

Database IDs

• MDL Number: MFCD00278533
• PubChem SID: 162083175
• PubChem CID: 9582339

CALCULATED PROPERTIES

• Acid pKa: 12.62705
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 8.599943
• LogD (pH = 7.4): 8.599954
• Log P: 8.599961
• Molar Refractivity: 112.9509 cm^3
• Polarizability: 41.635117 Å^3
• Polar Surface Area: 37.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false