N-(3,3,3-trifluoropropyl)cyclobutanamine hydrochloride

• ChemBase ID: 236377
• Molecular Formular: C7H13ClF3N
• Molecular Mass: 203.6330296
• Monoisotopic Mass: 203.06886176
• SMILES: C(CCNC1CCC1)(F)(F)F.Cl
• Canonical SMILES: FC(CCNC1CCC1)(F)F.Cl
• InChI: InChI=1S/C7H12F3N.ClH/c8-7(9,10)4-5-11-6-2-1-3-6;/h6,11H,1-5H2;1H
• InChIKey: DGUCXKVAVPPSBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3,3-trifluoropropyl)cyclobutanamine hydrochloride
• IUPAC Traditional name: N-(3,3,3-trifluoropropyl)cyclobutanamine hydrochloride
• Synonyms: N-(3,3,3-trifluoropropyl)cyclobutanamine hydrochloride

Database IDs

• MDL Number: MFCD22196574
• PubChem SID: 164292287
• PubChem CID: 71755695

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6087613
• LogD (pH = 7.4): -0.29802656
• Log P: 1.6349192
• Molar Refractivity: 36.4075 cm^3
• Polarizability: 13.780948 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 267 - 269°C
• Hydrophobicity(logP): 1.167

Product Information

• Purity: 95%