2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

• ChemBase ID: 255913
• Molecular Formular: C8H14F3NO
• Molecular Mass: 197.1980696
• Monoisotopic Mass: 197.10274873
• SMILES: C(COC1C(N)CCCC1)(F)(F)F
• Canonical SMILES: NC1CCCCC1OCC(F)(F)F
• InChI: InChI=1S/C8H14F3NO/c9-8(10,11)5-13-7-4-2-1-3-6(7)12/h6-7H,1-5,12H2
• InChIKey: ASMIWQMJTGDMEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09040765
• PubChem SID: 164311823
• PubChem CID: 16228802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.3117603
• LogD (pH = 7.4): -0.5926373
• Log P: 1.6971308
• Molar Refractivity: 42.4958 cm^3
• Polarizability: 16.360394 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.018

Product Information

• Purity: 95%