cyclopropyl(2,5-difluorophenyl)methanamine

• ChemBase ID: 284759
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: c1(C(C2CC2)N)c(ccc(c1)F)F
• Canonical SMILES: NC(c1cc(F)ccc1F)C1CC1
• InChI: InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(5-7)10(13)6-1-2-6/h3-6,10H,1-2,13H2
• InChIKey: WTUQJXAMZDXBID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopropyl(2,5-difluorophenyl)methanamine
• IUPAC Traditional name: cyclopropyl(2,5-difluorophenyl)methanamine
• Synonyms: cyclopropyl(2,5-difluorophenyl)methanamine

Database IDs

• MDL Number: MFCD05192128
• PubChem SID: 180670290
• PubChem CID: 3884061

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7231652
• LogD (pH = 7.4): 0.4456435
• Log P: 2.2247624
• Molar Refractivity: 46.5764 cm^3
• Polarizability: 17.837154 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.133

Product Information

• Purity: 95%