(2-methoxyethyl)(3,3,3-trifluoropropyl)amine

• ChemBase ID: 238450
• Molecular Formular: C6H12F3NO
• Molecular Mass: 171.1607896
• Monoisotopic Mass: 171.08709867
• SMILES: C(CCNCCOC)(F)(F)F
• Canonical SMILES: COCCNCCC(F)(F)F
• InChI: InChI=1S/C6H12F3NO/c1-11-5-4-10-3-2-6(7,8)9/h10H,2-5H2,1H3
• InChIKey: ZSFXDEUEWARNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16663534
• PubChem SID: 164294360
• PubChem CID: 59028600

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.370085
• LogD (pH = 7.4): -0.74817646
• Log P: 0.6598302
• Molar Refractivity: 35.6388 cm^3
• Polarizability: 13.468514 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.544

Product Information

• Purity: 95%