{[4-(difluoromethoxy)phenyl]methyl}hydrazine dihydrochloride

• ChemBase ID: 15553
• Molecular Formular: C8H12Cl2F2N2O
• Molecular Mass: 261.0964864
• Monoisotopic Mass: 260.02947481
• SMILES: c1cc(ccc1OC(F)F)CNN.Cl.Cl
• Canonical SMILES: NNCc1ccc(cc1)OC(F)F.Cl.Cl
• InChI: InChI=1S/C8H10F2N2O.2ClH/c9-8(10)13-7-3-1-6(2-4-7)5-12-11;;/h1-4,8,12H,5,11H2;2*1H
• InChIKey: YBECYCQAPXNEEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(difluoromethoxy)phenyl]methyl}hydrazine dihydrochloride
• IUPAC Traditional name: {[4-(difluoromethoxy)phenyl]methyl}hydrazine dihydrochloride
• Synonyms: [4-(Difluoromethoxy)benzyl]hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD06800563
• PubChem SID: 160978860
• PubChem CID: 45074963

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4790113
• LogD (pH = 7.4): 1.6801699
• Log P: 1.6834458
• Molar Refractivity: 55.9804 cm^3
• Polarizability: 17.03927 Å^3
• Polar Surface Area: 47.28 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false