3,3,3-trifluoro-2-methoxypropan-1-amine

• ChemBase ID: 269662
• Molecular Formular: C4H8F3NO
• Molecular Mass: 143.1076296
• Monoisotopic Mass: 143.05579854
• SMILES: C(C(OC)CN)(F)(F)F
• Canonical SMILES: NCC(C(F)(F)F)OC
• InChI: InChI=1S/C4H8F3NO/c1-9-3(2-8)4(5,6)7/h3H,2,8H2,1H3
• InChIKey: FNSRYZFYBKMUCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3,3-trifluoro-2-methoxypropan-1-amine
• IUPAC Traditional name: 3,3,3-trifluoro-2-methoxypropan-1-amine
• Synonyms: 3,3,3-trifluoro-2-methoxypropan-1-amine

Database IDs

• MDL Number: MFCD12047229
• PubChem SID: 164325572
• PubChem CID: 43752849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6068828
• LogD (pH = 7.4): -1.4439644
• Log P: 0.34242892
• Molar Refractivity: 26.0826 cm^3
• Polarizability: 9.945802 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.391

Product Information

• Purity: 95%