2-(3-fluorophenoxy)acetohydrazide

• ChemBase ID: 230523
• Molecular Formular: C8H9FN2O2
• Molecular Mass: 184.1676632
• Monoisotopic Mass: 184.06480576
• SMILES: C(=O)(NN)COc1cc(F)ccc1
• Canonical SMILES: NNC(=O)COc1cccc(c1)F
• InChI: InChI=1S/C8H9FN2O2/c9-6-2-1-3-7(4-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
• InChIKey: FRMANOVQPAYLFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenoxy)acetohydrazide
• IUPAC Traditional name: 2-(3-fluorophenoxy)acetohydrazide
• Synonyms: (3-Fluoro-phenoxy)-acetic acid hydrazide

Database IDs

• MDL Number: MFCD01930245
• PubChem SID: 164286433
• PubChem CID: 2362558

CALCULATED PROPERTIES

• Acid pKa: 11.218438
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.33142126
• LogD (pH = 7.4): 0.33276355
• Log P: 0.3328415
• Molar Refractivity: 45.1285 cm^3
• Polarizability: 17.073393 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.492

Product Information

• Purity: 95%