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

• ChemBase ID: 264961
• Molecular Formular: C5H11ClF3NO
• Molecular Mass: 193.5951496
• Monoisotopic Mass: 193.04812632
• SMILES: C(F)(F)(F)COCC(N)C.Cl
• Canonical SMILES: CC(COCC(F)(F)F)N.Cl
• InChI: InChI=1S/C5H10F3NO.ClH/c1-4(9)2-10-3-5(6,7)8;/h4H,2-3,9H2,1H3;1H
• InChIKey: ILVPCBLAUAEINX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705684
• PubChem SID: 164320871
• PubChem CID: 47002333

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

• Melting Point: 55 - 57°C
• Hydrophobicity(logP): 0.43

Product Information

• Purity: 95%