(2-fluoro-5-methylcyclopentyl)methanamine

• ChemBase ID: 286547
• Molecular Formular: C7H14FN
• Molecular Mass: 131.1911632
• Monoisotopic Mass: 131.11102767
• SMILES: C1(C(CCC1C)F)CN
• Canonical SMILES: NCC1C(C)CCC1F
• InChI: InChI=1S/C7H14FN/c1-5-2-3-7(8)6(5)4-9/h5-7H,2-4,9H2,1H3
• InChIKey: WFDPKRBKTIHNRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-fluoro-5-methylcyclopentyl)methanamine
• IUPAC Traditional name: (2-fluoro-5-methylcyclopentyl)methanamine
• Synonyms: (2-fluoro-5-methylcyclopentyl)methanamine

Database IDs

• MDL Number: MFCD21602833
• PubChem SID: 180672078
• PubChem CID: 73994890

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.1449807
• LogD (pH = 7.4): -1.6757525
• Log P: 0.87720484
• Molar Refractivity: 35.49 cm^3
• Polarizability: 14.107604 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.489

Product Information

• Purity: 95%