3-fluoro-3-methylcyclobutan-1-amine

• ChemBase ID: 246072
• Molecular Formular: C5H10FN
• Molecular Mass: 103.1380032
• Monoisotopic Mass: 103.07972755
• SMILES: CC1(F)CC(N)C1
• Canonical SMILES: NC1CC(C1)(C)F
• InChI: InChI=1S/C5H10FN/c1-5(6)2-4(7)3-5/h4H,2-3,7H2,1H3
• InChIKey: AOYYTLOIJHHVQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-3-methylcyclobutan-1-amine
• IUPAC Traditional name: 3-fluoro-3-methylcyclobutan-1-amine
• Synonyms: 3-fluoro-3-methylcyclobutanamine

Database IDs

• MDL Number: MFCD23144214
• PubChem SID: 164301982
• PubChem CID: 70670978

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.096374
• LogD (pH = 7.4): -2.5835986
• Log P: -0.07596376
• Molar Refractivity: 26.2594 cm^3
• Polarizability: 10.443268 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.461

Product Information

• Purity: null%