(1-cyclohexyl-2,2,2-trifluoroethyl)benzene

• ChemBase ID: 66059
• Molecular Formular: C14H17F3
• Molecular Mass: 242.2799896
• Monoisotopic Mass: 242.1282352
• SMILES: c1(ccccc1)C(C(F)(F)F)C1CCCCC1
• Canonical SMILES: FC(C(c1ccccc1)C1CCCCC1)(F)F
• InChI: InChI=1S/C14H17F3/c15-14(16,17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2
• InChIKey: CMTQUSAYGXQXLH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-cyclohexyl-2,2,2-trifluoroethyl)benzene
• IUPAC Traditional name: (1-cyclohexyl-2,2,2-trifluoroethyl)benzene
• Synonyms: (1-Cyclohexyl-2,2,2-trifluoroethyl)benzene

Database IDs

• MDL Number: MFCD14525525
• PubChem SID: 162031798
• PubChem CID: 21732876

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.097117
• LogD (pH = 7.4): 5.097117
• Log P: 5.097117
• Molar Refractivity: 62.2571 cm^3
• Polarizability: 23.39558 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 253°C
• Density: 1.109
• Refractive Index: 1.478

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%