[2-(fluoromethyl)cyclohexyl]methanamine

• ChemBase ID: 240177
• Molecular Formular: C8H16FN
• Molecular Mass: 145.2177432
• Monoisotopic Mass: 145.12667774
• SMILES: C1(C(CF)CCCC1)CN
• Canonical SMILES: FCC1CCCCC1CN
• InChI: InChI=1S/C8H16FN/c9-5-7-3-1-2-4-8(7)6-10/h7-8H,1-6,10H2
• InChIKey: LNJPOJGNOHUWCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22392083
• PubChem SID: 164296087
• PubChem CID: 71756486

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7158544
• LogD (pH = 7.4): -1.2983116
• Log P: 1.3082104
• Molar Refractivity: 40.372 cm^3
• Polarizability: 15.94399 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.778

Product Information

• Purity: 95%