3-fluorocyclobutan-1-amine

• ChemBase ID: 63335
• Molecular Formular: C4H8FN
• Molecular Mass: 89.1114232
• Monoisotopic Mass: 89.06407748
• SMILES: FC1CC(N)C1
• Canonical SMILES: NC1CC(C1)F
• InChI: InChI=1S/C4H8FN/c5-3-1-4(6)2-3/h3-4H,1-2,6H2
• InChIKey: APCSZMINSACNSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorocyclobutan-1-amine
• IUPAC Traditional name: 3-fluorocyclobutan-1-amine
• Synonyms: 3-Fluorocyclobutanamine; 3-FLUORO-CYCLOBUTYLAMINE; 3-fluorocyclobutan-1-amine

Database IDs

• CAS Number: 1234616-60-4
• MDL Number: MFCD17015925
• PubChem SID: 162029074
• PubChem CID: 53488121

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

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.058

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 98%