1,1,2,2,3,3,4,4-octafluorobutane

• ChemBase ID: 7772
• Molecular Formular: C4H2F8
• Molecular Mass: 202.0459056
• Monoisotopic Mass: 202.00287582
• SMILES: C(C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C4H2F8/c5-1(6)3(9,10)4(11,12)2(7)8/h1-2H
• InChIKey: LKLFXAVIFCLZQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4-octafluorobutane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4-octafluorobutane
• Synonyms: 1,1,2,2,3,3,4,4-Octafluorobutane; 1H,4H-Octafluorobutane (HFC-338pcc) 99%; 1H,4H-Octafluorobutane

Database IDs

• CAS Number: 377-36-6
• MDL Number: MFCD00155892
• PubChem SID: 160971079
• PubChem CID: 67832

CALCULATED PROPERTIES

• Acid pKa: 19.495363
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.505482
• LogD (pH = 7.4): 2.505482
• Log P: 2.505482
• Molar Refractivity: 20.4258 cm^3
• Polarizability: 8.225123 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -79°C
• Boiling Point: 44.8°C
• Flash Point: none°C
• Density: 1.56

Safety Information

• Storage Warning: Harmful/Irritant
• TSCA Listed: false

Product Information

• Purity: 99%