3-(difluoromethoxy)benzohydrazide

• ChemBase ID: 270132
• Molecular Formular: C8H8F2N2O2
• Molecular Mass: 202.1581264
• Monoisotopic Mass: 202.05538395
• SMILES: C(=O)(c1cc(OC(F)F)ccc1)NN
• Canonical SMILES: NNC(=O)c1cccc(c1)OC(F)F
• InChI: InChI=1S/C8H8F2N2O2/c9-8(10)14-6-3-1-2-5(4-6)7(13)12-11/h1-4,8H,11H2,(H,12,13)
• InChIKey: YYTYVTSFKBHCHH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(difluoromethoxy)benzohydrazide
• IUPAC Traditional name: 3-(difluoromethoxy)benzohydrazide
• Synonyms: 3-(difluoromethoxy)benzohydrazide

Database IDs

• MDL Number: MFCD03420216
• PubChem SID: 164326042
• PubChem CID: 40606001

CALCULATED PROPERTIES

• Acid pKa: 13.961013
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.295656
• LogD (pH = 7.4): 1.2964867
• Log P: 1.2964973
• Molar Refractivity: 46.0926 cm^3
• Polarizability: 16.76035 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.878

Product Information

• Purity: 95%