[2-(difluoromethyl)cyclohexyl]methanamine

• ChemBase ID: 240175
• Molecular Formular: C8H15F2N
• Molecular Mass: 163.2082064
• Monoisotopic Mass: 163.11725593
• SMILES: C1(C(F)F)C(CN)CCCC1
• Canonical SMILES: NCC1CCCCC1C(F)F
• InChI: InChI=1S/C8H15F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h6-8H,1-5,11H2
• InChIKey: VBHBQBAXEWTZIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(difluoromethyl)cyclohexyl]methanamine
• IUPAC Traditional name: [2-(difluoromethyl)cyclohexyl]methanamine
• Synonyms: [2-(difluoromethyl)cyclohexyl]methanamine

Database IDs

• MDL Number: MFCD22392082
• PubChem SID: 164296085
• PubChem CID: 71756485

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5647889
• LogD (pH = 7.4): -1.1451977
• Log P: 1.4592056
• Molar Refractivity: 40.3874 cm^3
• Polarizability: 15.714715 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.651

Product Information

• Purity: 95%