1-cyclohexyl-4-(1,1-difluoroethyl)benzene

• ChemBase ID: 66112
• Molecular Formular: C14H18F2
• Molecular Mass: 224.2895264
• Monoisotopic Mass: 224.13765702
• SMILES: c1(ccc(cc1)C(C)(F)F)C1CCCCC1
• Canonical SMILES: CC(c1ccc(cc1)C1CCCCC1)(F)F
• InChI: InChI=1S/C14H18F2/c1-14(15,16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
• InChIKey: ODRLKJNRZSUVCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclohexyl-4-(1,1-difluoroethyl)benzene
• IUPAC Traditional name: 1-cyclohexyl-4-(1,1-difluoroethyl)benzene
• Synonyms: 1-Cyclohexyl-4-(1,1-difluoroethyl)benzene

Database IDs

• MDL Number: MFCD16140170
• PubChem SID: 162031851
• PubChem CID: 54772254

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7253857
• LogD (pH = 7.4): 4.7253857
• Log P: 4.7253857
• Molar Refractivity: 62.3554 cm^3
• Polarizability: 23.618263 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%