1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane

• ChemBase ID: 6445
• Molecular Formular: C6F12
• Molecular Mass: 300.0450384
• Monoisotopic Mass: 299.98083864
• SMILES: C1(C(C(C(C1(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C1(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C6F12/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11
• InChIKey: BCNXQFASJTYKDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane
• IUPAC Traditional name: 1,1,2,2,3,3,4,4,5-nonafluoro-5-(trifluoromethyl)cyclopentane
• Synonyms: Perfluoro(methylcyclopentane); Perfluoro(methylcyclopentane) 90%

Database IDs

• CAS Number: 1805-22-7
• MDL Number: MFCD00066611
• PubChem SID: 160969752
• PubChem CID: 74546

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9421926
• LogD (pH = 7.4): 3.9421926
• Log P: 3.9421926
• Molar Refractivity: 28.2821 cm^3
• Polarizability: 11.511321 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 48°C
• Flash Point: none°C

Safety Information

• Storage Warning: Irritant
• TSCA Listed: false

Product Information

• Purity: 90%