(3,3-difluoropropyl)(2-methoxyethyl)amine hydrochloride

• ChemBase ID: 237072
• Molecular Formular: C6H14ClF2NO
• Molecular Mass: 189.6312664
• Monoisotopic Mass: 189.07319819
• SMILES: C(CCNCCOC)(F)F.Cl
• Canonical SMILES: COCCNCCC(F)F.Cl
• InChI: InChI=1S/C6H13F2NO.ClH/c1-10-5-4-9-3-2-6(7)8;/h6,9H,2-5H2,1H3;1H
• InChIKey: GRSHEJZHXKMLOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3,3-difluoropropyl)(2-methoxyethyl)amine hydrochloride
• IUPAC Traditional name: (3,3-difluoropropyl)(2-methoxyethyl)amine hydrochloride
• Synonyms: (3,3-difluoropropyl)(2-methoxyethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD22369884
• PubChem SID: 164292982
• PubChem CID: 71755854

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6120522
• LogD (pH = 7.4): -1.2820145
• Log P: 0.4967849
• Molar Refractivity: 34.7491 cm^3
• Polarizability: 13.551683 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.024

Product Information

• Purity: 95%