1,1,2,2,3,3,4,5-octafluorocyclopentane

• ChemBase ID: 12048
• Molecular Formular: C5H2F8
• Molecular Mass: 214.0566056
• Monoisotopic Mass: 214.00287582
• SMILES: C1(C(C(C(C1(F)F)F)F)(F)F)(F)F
• Canonical SMILES: FC1C(F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H2F8/c6-1-2(7)4(10,11)5(12,13)3(1,8)9/h1-2H
• InChIKey: QVEJLBREDQLBKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,5-octafluorocyclopentane
• IUPAC Traditional name: 1,1,2,2,3,3,4,5-octafluorocyclopentane
• Synonyms: 1H,2H-Octafluorocyclopentane

Database IDs

• CAS Number: 828-35-3
• MDL Number: MFCD03094303
• PubChem SID: 160975355
• PubChem CID: 2778426

CALCULATED PROPERTIES

• Acid pKa: 18.30836
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6234417
• LogD (pH = 7.4): 2.6234417
• Log P: 2.6234417
• Molar Refractivity: 22.5448 cm^3
• Polarizability: 9.22436 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 79°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%