3,3-difluoropropan-1-amine hydrochloride

• ChemBase ID: 270432
• Molecular Formular: C3H8ClF2N
• Molecular Mass: 131.5521264
• Monoisotopic Mass: 131.03133338
• SMILES: C(CCN)(F)F.Cl
• Canonical SMILES: NCCC(F)F.Cl
• InChI: InChI=1S/C3H7F2N.ClH/c4-3(5)1-2-6;/h3H,1-2,6H2;1H
• InChIKey: GZIRVKYLTVWXDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluoropropan-1-amine hydrochloride
• IUPAC Traditional name: 3,3-difluoropropan-1-amine hydrochloride
• Synonyms: 3,3-difluoropropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12024563
• PubChem SID: 164326342
• PubChem CID: 50988719

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9085538
• LogD (pH = 7.4): -2.3803208
• Log P: 0.11118
• Molar Refractivity: 18.931 cm^3
• Polarizability: 7.390657 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.46

Product Information

• Purity: 95%