2,2-difluorobutan-1-amine hydrochloride

• ChemBase ID: 235656
• Molecular Formular: C4H10ClF2N
• Molecular Mass: 145.5787064
• Monoisotopic Mass: 145.04698345
• SMILES: C(F)(F)(CN)CC.Cl
• Canonical SMILES: CCC(CN)(F)F.Cl
• InChI: InChI=1S/C4H9F2N.ClH/c1-2-4(5,6)3-7;/h2-3,7H2,1H3;1H
• InChIKey: VKQSCJGLPNANAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluorobutan-1-amine hydrochloride
• IUPAC Traditional name: 2,2-difluorobutan-1-amine hydrochloride
• Synonyms: 2,2-difluorobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22196427
• PubChem SID: 164291566
• PubChem CID: 71755557

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3363686
• LogD (pH = 7.4): 0.30939755
• Log P: 0.72581273
• Molar Refractivity: 23.9698 cm^3
• Polarizability: 9.17493 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.969

Product Information

• Purity: 95%