3-fluorocyclobutan-1-amine hydrochloride

• ChemBase ID: 169103
• Molecular Formular: C4H9ClFN
• Molecular Mass: 125.5723632
• Monoisotopic Mass: 125.04075519
• SMILES: C1(CC(C1)F)N.Cl
• Canonical SMILES: NC1CC(C1)F.Cl
• InChI: InChI=1S/C4H8FN.ClH/c5-3-1-4(6)2-3;/h3-4H,1-2,6H2;1H
• InChIKey: WEBFDQGKSKHFDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorocyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 3-fluorocyclobutan-1-amine hydrochloride
• Synonyms: (3-Fluorocyclobutyl)amine Hydrochloride; 3-Fluorocyclobutanamine Hydrochloride

Database IDs

• CAS Number: 1284245-36-8
• PubChem SID: 162263235
• PubChem CID: 67084889

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.3774211
• LogD (pH = 7.4): -2.8757534
• Log P: -0.35654044
• Molar Refractivity: 21.6212 cm^3
• Polarizability: 8.6180315 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - F588850

3-halo substituted cyclobutanamine used in the preparation of piperazinyl antiviral agents.