(1-methoxypropan-2-yl)(2,2,2-trifluoroethyl)amine

• ChemBase ID: 257391
• Molecular Formular: C6H12F3NO
• Molecular Mass: 171.1607896
• Monoisotopic Mass: 171.08709867
• SMILES: C(CNC(COC)C)(F)(F)F
• Canonical SMILES: COCC(NCC(F)(F)F)C
• InChI: InChI=1S/C6H12F3NO/c1-5(3-11-2)10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
• InChIKey: SUBHWUOLNDFWJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-methoxypropan-2-yl)(2,2,2-trifluoroethyl)amine
• IUPAC Traditional name: (1-methoxypropan-2-yl)(2,2,2-trifluoroethyl)amine
• Synonyms: N-(2-methoxy-1-methylethyl)-N-(2,2,2-trifluoroethyl)amine

Database IDs

• MDL Number: MFCD11505415
• PubChem SID: 164313301
• PubChem CID: 43199121

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0432307
• LogD (pH = 7.4): 1.1305817
• Log P: 1.1318173
• Molar Refractivity: 35.6058 cm^3
• Polarizability: 13.468873 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.229

Product Information

• Purity: 95%