[2-(fluoromethyl)cyclopentyl]methanamine

• ChemBase ID: 240163
• Molecular Formular: C7H14FN
• Molecular Mass: 131.1911632
• Monoisotopic Mass: 131.11102767
• SMILES: C1(C(CF)CCC1)CN
• Canonical SMILES: NCC1CCCC1CF
• InChI: InChI=1S/C7H14FN/c8-4-6-2-1-3-7(6)5-9/h6-7H,1-5,9H2
• InChIKey: NOCZPWVHRBBKJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(fluoromethyl)cyclopentyl]methanamine
• IUPAC Traditional name: [2-(fluoromethyl)cyclopentyl]methanamine
• Synonyms: [2-(fluoromethyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD22392078
• PubChem SID: 164296073
• PubChem CID: 71756481

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.160423
• LogD (pH = 7.4): -1.7428802
• Log P: 0.86364174
• Molar Refractivity: 35.771 cm^3
• Polarizability: 14.107265 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.219

Product Information

• Purity: 95%