[2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine

• ChemBase ID: 97601
• Molecular Formular: C7H3Cl2F5N2
• Molecular Mass: 281.010136
• Monoisotopic Mass: 279.95934457
• SMILES: Clc1c(c(c(c(c1F)C(F)(F)F)F)Cl)NN
• Canonical SMILES: NNc1c(Cl)c(F)c(c(c1Cl)F)C(F)(F)F
• InChI: InChI=1S/C7H3Cl2F5N2/c8-2-4(10)1(7(12,13)14)5(11)3(9)6(2)16-15/h16H,15H2
• InChIKey: QLTSRWAPKUSFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine
• IUPAC Traditional name: [2,6-dichloro-3,5-difluoro-4-(trifluoromethyl)phenyl]hydrazine
• Synonyms: 2,6-Dichloro-3,5-difluoro-4-(trifluoromethyl)phenylhydrazine

Database IDs

• MDL Number: MFCD03424472
• PubChem SID: 162084197
• PubChem CID: 2782508

CALCULATED PROPERTIES

• Acid pKa: 13.671266
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6924644
• LogD (pH = 7.4): 3.733971
• Log P: 3.7362301
• Molar Refractivity: 51.7808 cm^3
• Polarizability: 18.057722 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant