4-ethyl-1,1-difluorocyclohexane

• ChemBase ID: 58849
• Molecular Formular: C8H14F2
• Molecular Mass: 148.1935664
• Monoisotopic Mass: 148.10635689
• SMILES: C1(CCC(CC1)CC)(F)F
• Canonical SMILES: CCC1CCC(CC1)(F)F
• InChI: InChI=1S/C8H14F2/c1-2-7-3-5-8(9,10)6-4-7/h7H,2-6H2,1H3
• InChIKey: JDPBWSJODBUYKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-1,1-difluorocyclohexane
• IUPAC Traditional name: 4-ethyl-1,1-difluorocyclohexane
• Synonyms: 4-Ethyl-1,1-difluoro-cyclohexane

Database IDs

• MDL Number: MFCD19442242
• PubChem SID: 162063612
• PubChem CID: 54772461

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.885856
• LogD (pH = 7.4): 2.885856
• Log P: 2.885856
• Molar Refractivity: 37.3514 cm^3
• Polarizability: 14.187689 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT-HARMFUL
• TSCA Listed: false

Product Information

• Purity: 95%