(3,3-difluoropropyl)(propyl)amine hydrochloride

• ChemBase ID: 237090
• Molecular Formular: C6H14ClF2N
• Molecular Mass: 173.6318664
• Monoisotopic Mass: 173.07828357
• SMILES: C(CCNCCC)(F)F.Cl
• Canonical SMILES: CCCNCCC(F)F.Cl
• InChI: InChI=1S/C6H13F2N.ClH/c1-2-4-9-5-3-6(7)8;/h6,9H,2-5H2,1H3;1H
• InChIKey: DKDHDFJTBQYZOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-difluoropropyl)(propyl)amine hydrochloride
• IUPAC Traditional name: (3,3-difluoropropyl)(propyl)amine hydrochloride
• Synonyms: (3,3-difluoropropyl)(propyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22369886
• PubChem SID: 164293000
• PubChem CID: 71755856

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7930598
• LogD (pH = 7.4): -1.0508723
• Log P: 1.4230907
• Molar Refractivity: 32.9782 cm^3
• Polarizability: 12.782225 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.744

Product Information

• Purity: 95%