1-(2,4-difluorophenyl)cyclopentan-1-amine

• ChemBase ID: 244474
• Molecular Formular: C11H13F2N
• Molecular Mass: 197.2244264
• Monoisotopic Mass: 197.10160586
• SMILES: c1(c(cc(cc1)F)F)C1(N)CCCC1
• Canonical SMILES: Fc1ccc(c(c1)F)C1(N)CCCC1
• InChI: InChI=1S/C11H13F2N/c12-8-3-4-9(10(13)7-8)11(14)5-1-2-6-11/h3-4,7H,1-2,5-6,14H2
• InChIKey: OYAZOLKGTMSJIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,4-difluorophenyl)cyclopentan-1-amine
• IUPAC Traditional name: 1-(2,4-difluorophenyl)cyclopentan-1-amine
• Synonyms: 1-(2,4-difluorophenyl)cyclopentan-1-amine

Database IDs

• MDL Number: MFCD17223594
• PubChem SID: 164300384
• PubChem CID: 62802030

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.32888645
• LogD (pH = 7.4): 0.5779827
• Log P: 2.6628888
• Molar Refractivity: 51.267 cm^3
• Polarizability: 19.665321 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.842

Product Information

• Purity: 95%