1-(trifluoromethyl)cyclobutan-1-amine hydrochloride

• ChemBase ID: 284438
• Molecular Formular: C5H9ClF3N
• Molecular Mass: 175.5798696
• Monoisotopic Mass: 175.03756163
• SMILES: C(C1(N)CCC1)(F)(F)F.Cl
• Canonical SMILES: FC(C1(N)CCC1)(F)F.Cl
• InChI: InChI=1S/C5H8F3N.ClH/c6-5(7,8)4(9)2-1-3-4;/h1-3,9H2;1H
• InChIKey: MNWDPLQMMPTWME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(trifluoromethyl)cyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 1-(trifluoromethyl)cyclobutan-1-amine hydrochloride
• Synonyms: 1-(trifluoromethyl)cyclobutan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD15526688
• PubChem SID: 180669969
• PubChem CID: 53415776

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.82132554
• LogD (pH = 7.4): 1.157026
• Log P: 1.1635393
• Molar Refractivity: 27.0707 cm^3
• Polarizability: 10.227902 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1

PROPERTIES

Physical Property

• Melting Point: 189 - 191°C
• Hydrophobicity(logP): 0.942

Product Information

• Purity: 95%