(1-fluorobutan-2-yl)hydrazine dihydrochloride

• ChemBase ID: 235848
• Molecular Formular: C4H13Cl2FN2
• Molecular Mass: 179.0638232
• Monoisotopic Mass: 178.04398201
• SMILES: N(N)C(CF)CC.Cl.Cl
• Canonical SMILES: CCC(NN)CF.Cl.Cl
• InChI: InChI=1S/C4H11FN2.2ClH/c1-2-4(3-5)7-6;;/h4,7H,2-3,6H2,1H3;2*1H
• InChIKey: FPFBBLYBBZAILD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-fluorobutan-2-yl)hydrazine dihydrochloride
• IUPAC Traditional name: (1-fluorobutan-2-yl)hydrazine dihydrochloride
• Synonyms: (1-fluorobutan-2-yl)hydrazine dihydrochloride

Database IDs

• MDL Number: MFCD22196461
• PubChem SID: 164291758
• PubChem CID: 71755587

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.019637587
• LogD (pH = 7.4): 0.3232575
• Log P: 0.3299729
• Molar Refractivity: 38.4387 cm^3
• Polarizability: 10.666283 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.026

Product Information

• Purity: 95%