3-(2,2,2-trifluoroethoxy)propan-1-amine

• ChemBase ID: 255501
• Molecular Formular: C5H10F3NO
• Molecular Mass: 157.1342096
• Monoisotopic Mass: 157.07144861
• SMILES: C(F)(F)(F)COCCCN
• Canonical SMILES: NCCCOCC(F)(F)F
• InChI: InChI=1S/C5H10F3NO/c6-5(7,8)4-10-3-1-2-9/h1-4,9H2
• InChIKey: OPJGZAWRXBEOMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,2,2-trifluoroethoxy)propan-1-amine
• IUPAC Traditional name: 3-(2,2,2-trifluoroethoxy)propan-1-amine
• Synonyms: 3-(2,2,2-trifluoroethoxy)propan-1-amine

Database IDs

• MDL Number: MFCD06253601
• PubChem SID: 164311411
• PubChem CID: 4737374

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6798384
• LogD (pH = 7.4): -2.217773
• Log P: 0.3426216
• Molar Refractivity: 31.2778 cm^3
• Polarizability: 11.699115 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.943

Product Information

• Purity: 95%