methyl(2,2,3,3,3-pentafluoropropyl)amine hydrochloride

• ChemBase ID: 271284
• Molecular Formular: C4H7ClF5N
• Molecular Mass: 199.550096
• Monoisotopic Mass: 199.01871801
• SMILES: C(C(F)(F)F)(F)(F)CNC.Cl
• Canonical SMILES: CNCC(C(F)(F)F)(F)F.Cl
• InChI: InChI=1S/C4H6F5N.ClH/c1-10-2-3(5,6)4(7,8)9;/h10H,2H2,1H3;1H
• InChIKey: UJYABZGJUPADQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(2,2,3,3,3-pentafluoropropyl)amine hydrochloride
• IUPAC Traditional name: methyl(2,2,3,3,3-pentafluoropropyl)amine hydrochloride
• Synonyms: methyl(2,2,3,3,3-pentafluoropropyl)amine hydrochloride

Database IDs

• MDL Number: MFCD17977121
• PubChem SID: 164327194
• PubChem CID: 50988526

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.60435534
• LogD (pH = 7.4): 1.4300101
• Log P: 1.4628605
• Molar Refractivity: 24.8115 cm^3
• Polarizability: 9.216258 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 216 - 218°C
• Hydrophobicity(logP): 1.29

Product Information

• Purity: 95%