1-(2-fluorophenyl)cyclobutan-1-amine hydrochloride

• ChemBase ID: 97847
• Molecular Formular: C10H13ClFN
• Molecular Mass: 201.6683232
• Monoisotopic Mass: 201.07205532
• SMILES: NC1(c2c(cccc2)F)CCC1.Cl
• Canonical SMILES: Fc1ccccc1C1(N)CCC1.Cl
• InChI: InChI=1S/C10H12FN.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-10;/h1-2,4-5H,3,6-7,12H2;1H
• InChIKey: SLZNHLKBSZPDDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)cyclobutan-1-amine hydrochloride
• IUPAC Traditional name: 1-(2-fluorophenyl)cyclobutan-1-amine hydrochloride
• Synonyms: 1-Amino-1-(2-fluorophenyl)cyclobutane hydrochloride; 1-(1-Aminocyclobut-1-yl)-2-fluorobenzene hydrochloride; 1-(2-Fluorophenyl)cyclobutan-1-amine hydrochloride

Database IDs

• PubChem SID: 162105064
• PubChem CID: 46835516

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.8967466
• LogD (pH = 7.4): 0.14962856
• Log P: 2.075618
• Molar Refractivity: 46.4496 cm^3
• Polarizability: 18.134367 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful