[1-(2,6-difluorophenyl)cyclopentyl]methanamine

• ChemBase ID: 266867
• Molecular Formular: C12H15F2N
• Molecular Mass: 211.2510064
• Monoisotopic Mass: 211.11725593
• SMILES: c1(C2(CN)CCCC2)c(F)cccc1F
• Canonical SMILES: NCC1(CCCC1)c1c(F)cccc1F
• InChI: InChI=1S/C12H15F2N/c13-9-4-3-5-10(14)11(9)12(8-15)6-1-2-7-12/h3-5H,1-2,6-8,15H2
• InChIKey: OPMVQGTXUIMFNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,6-difluorophenyl)cyclopentyl]methanamine
• IUPAC Traditional name: [1-(2,6-difluorophenyl)cyclopentyl]methanamine
• Synonyms: [1-(2,6-difluorophenyl)cyclopentyl]methanamine

Database IDs

• MDL Number: MFCD16040079
• PubChem SID: 164322777
• PubChem CID: 47002854

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.114315696
• LogD (pH = 7.4): 1.0196335
• Log P: 2.8414645
• Molar Refractivity: 55.9887 cm^3
• Polarizability: 21.42758 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.271

Product Information

• Purity: 95%