1,1,2,2,3,3,4-heptafluorocyclopentane

• ChemBase ID: 11967
• Molecular Formular: C5H3F7
• Molecular Mass: 196.0661424
• Monoisotopic Mass: 196.01229764
• SMILES: C1(C(CC(C1(F)F)(F)F)F)(F)F
• Canonical SMILES: FC1CC(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H3F7/c6-2-1-3(7,8)5(11,12)4(2,9)10/h2H,1H2
• InChIKey: IDBYQQQHBYGLEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4-heptafluorocyclopentane
• IUPAC Traditional name: 1,1,2,2,3,3,4-heptafluorocyclopentane
• Synonyms: 1H,1H,2H-Heptafluorocyclopentane; 1,1,2,2,3,3,4-Heptafluorocyclopentane; 1H,1H,2H-Perfluorocyclopentane

Database IDs

• CAS Number: 15290-77-4
• MDL Number: MFCD03844796
• PubChem SID: 160975274
• PubChem CID: 3853245

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6329882
• LogD (pH = 7.4): 2.6329882
• Log P: 2.6329882
• Molar Refractivity: 22.7262 cm^3
• Polarizability: 9.068888 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82.5°C
• Density: 1.580

Safety Information

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

Product Information

• Purity: 99%