2-(2-fluorophenyl)cyclopropan-1-amine

• ChemBase ID: 270693
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(CC1N)c1c(F)cccc1
• Canonical SMILES: NC1CC1c1ccccc1F
• InChI: InChI=1S/C9H10FN/c10-8-4-2-1-3-6(8)7-5-9(7)11/h1-4,7,9H,5,11H2
• InChIKey: ZIOFMQVJOFSLSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(2-fluorophenyl)cyclopropan-1-amine
• Synonyms: 2-(2-fluorophenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD11934369
• PubChem SID: 164326603
• PubChem CID: 43810362

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5062312
• LogD (pH = 7.4): -0.5663768
• Log P: 1.4815844
• Molar Refractivity: 41.913 cm^3
• Polarizability: 16.221235 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.621

Product Information

• Purity: 95%