2-(4-fluorophenoxy)propanehydrazide

• ChemBase ID: 27215
• Molecular Formular: C9H11FN2O2
• Molecular Mass: 198.1942432
• Monoisotopic Mass: 198.08045582
• SMILES: C(=O)(C(Oc1ccc(F)cc1)C)NN
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)F)C
• InChI: InChI=1S/C9H11FN2O2/c1-6(9(13)12-11)14-8-4-2-7(10)3-5-8/h2-6H,11H2,1H3,(H,12,13)
• InChIKey: IWSHFXHHJMUTPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenoxy)propanehydrazide
• IUPAC Traditional name: 2-(4-fluorophenoxy)propanehydrazide
• Synonyms: 2-(4-Fluorophenoxy)propanohydrazide

Database IDs

• CAS Number: 590356-83-5
• MDL Number: MFCD01930249
• PubChem SID: 160990522
• PubChem CID: 5013621

CALCULATED PROPERTIES

• Acid pKa: 11.324474
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.90020573
• LogD (pH = 7.4): 0.9015192
• Log P: 0.9016057
• Molar Refractivity: 49.6224 cm^3
• Polarizability: 18.894598 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 164 - 167°C
• Hydrophobicity(logP): 0.801

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%