2-[4-(trifluoromethoxy)phenoxy]propanehydrazide

• ChemBase ID: 98325
• Molecular Formular: C10H11F3N2O3
• Molecular Mass: 264.2011496
• Monoisotopic Mass: 264.07217688
• SMILES: O(c1ccc(cc1)OC(C)C(=O)NN)C(F)(F)F
• Canonical SMILES: NNC(=O)C(Oc1ccc(cc1)OC(F)(F)F)C
• InChI: InChI=1S/C10H11F3N2O3/c1-6(9(16)15-14)17-7-2-4-8(5-3-7)18-10(11,12)13/h2-6H,14H2,1H3,(H,15,16)
• InChIKey: BLWJFSQZXQFICN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
• IUPAC Traditional name: 2-[4-(trifluoromethoxy)phenoxy]propanehydrazide
• Synonyms: 2-Methyl-2-[4-(trifluoromethoxy)phenoxy]acetic hydrazide 97%

Database IDs

• CAS Number: 175204-37-2
• MDL Number: MFCD00052356
• PubChem SID: 162084771
• PubChem CID: 2775562

CALCULATED PROPERTIES

• Polarizability: 21.221287 Å^3
• Polar Surface Area: 73.58 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.614524
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.1886103
• LogD (pH = 7.4): 2.1897583
• Log P: 2.1900153
• Molar Refractivity: 52.4763 cm^3

PROPERTIES

Physical Property

• Melting Point: 103-105°C

Safety Information

• Storage Warning: Irritant