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

• ChemBase ID: 237774
• Molecular Formular: C10H13F2N
• Molecular Mass: 185.2137264
• Monoisotopic Mass: 185.10160586
• SMILES: c1(c(cc(cc1)F)F)C(N)CCC
• Canonical SMILES: CCCC(c1ccc(cc1F)F)N
• InChI: InChI=1S/C10H13F2N/c1-2-3-10(13)8-5-4-7(11)6-9(8)12/h4-6,10H,2-3,13H2,1H3
• InChIKey: UYWOZTJRNLKMSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11148476
• PubChem SID: 164293684
• PubChem CID: 43197789

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.18669336
• LogD (pH = 7.4): 0.9519094
• Log P: 2.7680843
• Molar Refractivity: 48.508 cm^3
• Polarizability: 18.54958 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.747

Product Information

• Purity: 95%