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

• ChemBase ID: 245112
• Molecular Formular: C12H15F2N
• Molecular Mass: 211.2510064
• Monoisotopic Mass: 211.11725593
• SMILES: c1(c(cc(cc1)F)F)C1(N)CCCCC1
• Canonical SMILES: Fc1ccc(c(c1)F)C1(N)CCCCC1
• InChI: InChI=1S/C12H15F2N/c13-9-4-5-10(11(14)8-9)12(15)6-2-1-3-7-12/h4-5,8H,1-3,6-7,15H2
• InChIKey: BJEGUZPSPLJRED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD17223595
• PubChem SID: 164301022
• PubChem CID: 62802198

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.11568217
• LogD (pH = 7.4): 1.0225508
• Log P: 3.1074574
• Molar Refractivity: 55.868 cm^3
• Polarizability: 21.496878 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.401

Product Information

• Purity: 95%