ethyl(3,3,3-trifluoropropyl)amine hydrochloride

• ChemBase ID: 266491
• Molecular Formular: C5H11ClF3N
• Molecular Mass: 177.5957496
• Monoisotopic Mass: 177.0532117
• SMILES: C(CCNCC)(F)(F)F.Cl
• Canonical SMILES: CCNCCC(F)(F)F.Cl
• InChI: InChI=1S/C5H10F3N.ClH/c1-2-9-4-3-5(6,7)8;/h9H,2-4H2,1H3;1H
• InChIKey: UMGQSHSHBXYWQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(3,3,3-trifluoropropyl)amine hydrochloride
• IUPAC Traditional name: ethyl(3,3,3-trifluoropropyl)amine hydrochloride
• Synonyms: ethyl(3,3,3-trifluoropropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD15209682
• PubChem SID: 164322401
• PubChem CID: 47002717

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.118059
• LogD (pH = 7.4): -0.81600183
• Log P: 1.1286801
• Molar Refractivity: 29.3439 cm^3
• Polarizability: 10.893457 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 249 - 251°C
• Hydrophobicity(logP): 0.783

Product Information

• Purity: 95%