[1-(2,4-difluorophenyl)cyclopropyl]methanamine

• ChemBase ID: 244686
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: C1(c2c(cc(cc2)F)F)(CC1)CN
• Canonical SMILES: NCC1(CC1)c1ccc(cc1F)F
• InChI: InChI=1S/C10H11F2N/c11-7-1-2-8(9(12)5-7)10(6-13)3-4-10/h1-2,5H,3-4,6,13H2
• InChIKey: KCCAQFQPSMPPLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,4-difluorophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2,4-difluorophenyl)cyclopropyl]methanamine
• Synonyms: [1-(2,4-difluorophenyl)cyclopropyl]methanamine

Database IDs

• MDL Number: MFCD20362006
• PubChem SID: 164300596
• PubChem CID: 64561371

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0206113
• LogD (pH = 7.4): 0.0223138
• Log P: 1.9523271
• Molar Refractivity: 46.7867 cm^3
• Polarizability: 17.766489 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.153

Product Information

• Purity: 95%