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

• ChemBase ID: 265157
• Molecular Formular: C5H10F3NO
• Molecular Mass: 157.1342096
• Monoisotopic Mass: 157.07144861
• SMILES: C(F)(F)(F)COCC(N)C
• Canonical SMILES: CC(COCC(F)(F)F)N
• InChI: InChI=1S/C5H10F3NO/c1-4(9)2-10-3-5(6,7)8/h4H,2-3,9H2,1H3
• InChIKey: MIBKGSONRCOKNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09727635
• PubChem SID: 164321067
• PubChem CID: 16780940

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3042831
• LogD (pH = 7.4): -1.5160862
• Log P: 0.69923687
• Molar Refractivity: 30.8312 cm^3
• Polarizability: 11.699115 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.43

Product Information

• Purity: 95%