[(3,4-difluorophenyl)methyl]hydrazine

• ChemBase ID: 258813
• Molecular Formular: C7H8F2N2
• Molecular Mass: 158.1486264
• Monoisotopic Mass: 158.06555471
• SMILES: c1(c(ccc(c1)CNN)F)F
• Canonical SMILES: NNCc1ccc(c(c1)F)F
• InChI: InChI=1S/C7H8F2N2/c8-6-2-1-5(4-11-10)3-7(6)9/h1-3,11H,4,10H2
• InChIKey: VROZMLUIKPQVNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,4-difluorophenyl)methyl]hydrazine
• IUPAC Traditional name: [(3,4-difluorophenyl)methyl]hydrazine
• Synonyms: 1-[(3,4-difluorophenyl)methyl]hydrazine

Database IDs

• CAS Number: 887595-36-0
• MDL Number: MFCD07786440
• PubChem SID: 164314723
• PubChem CID: 20118389

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.026921
• LogD (pH = 7.4): 1.1970974
• Log P: 1.1997627
• Molar Refractivity: 49.9411 cm^3
• Polarizability: 14.414764 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.92

Product Information

• Purity: 95%