3-(trifluoromethyl)cyclobutan-1-amine

• ChemBase ID: 262814
• Molecular Formular: C5H8F3N
• Molecular Mass: 139.1189296
• Monoisotopic Mass: 139.06088392
• SMILES: C(C1CC(C1)N)(F)(F)F
• Canonical SMILES: NC1CC(C1)C(F)(F)F
• InChI: InChI=1S/C5H8F3N/c6-5(7,8)3-1-4(9)2-3/h3-4H,1-2,9H2
• InChIKey: MJHSTECNTRJFSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(trifluoromethyl)cyclobutan-1-amine
• IUPAC Traditional name: 3-(trifluoromethyl)cyclobutan-1-amine
• Synonyms: 3-(trifluoromethyl)cyclobutan-1-amine

Database IDs

• MDL Number: MFCD17480487
• PubChem SID: 164318724
• PubChem CID: 50989715

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1751297
• LogD (pH = 7.4): -1.759129
• Log P: 0.84898776
• Molar Refractivity: 27.1375 cm^3
• Polarizability: 10.227458 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.342

Product Information

• Purity: 95%