2,2,4,4-tetrafluoropentane

• ChemBase ID: 66076
• Molecular Formular: C5H8F4
• Molecular Mass: 144.1106328
• Monoisotopic Mass: 144.05621314
• SMILES: CC(CC(C)(F)F)(F)F
• Canonical SMILES: CC(CC(F)(F)C)(F)F
• InChI: InChI=1S/C5H8F4/c1-4(6,7)3-5(2,8)9/h3H2,1-2H3
• InChIKey: WHRFADFZYHNRCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,4,4-tetrafluoropentane
• IUPAC Traditional name: 2,2,4,4-tetrafluoropentane
• Synonyms: 2,2,4,4-Tetrafluoropentane

Database IDs

• MDL Number: MFCD12546927
• PubChem SID: 162031815
• PubChem CID: 13053134

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8621554
• LogD (pH = 7.4): 1.8621554
• Log P: 1.8621554
• Molar Refractivity: 25.5852 cm^3
• Polarizability: 9.38412 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: 97%