5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl fluoride

• ChemBase ID: 97519
• Molecular Formular: C5ClF9O
• Molecular Mass: 282.4915288
• Monoisotopic Mass: 281.94939628
• SMILES: O=C(C(C(F)(C(C(Cl)(F)F)(F)F)F)(F)F)F
• Canonical SMILES: FC(=O)C(C(C(C(Cl)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5ClF9O/c6-5(14,15)4(12,13)3(10,11)2(8,9)1(7)16
• InChIKey: UHJPXUQIZVYTEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl fluoride
• IUPAC Traditional name: 5-chloro-2,2,3,3,4,4,5,5-octafluoropentanoyl fluoride
• Synonyms: 5-Chloroperfluoropentanoyl fluoride

Database IDs

• MDL Number: MFCD00155686
• PubChem SID: 162084126
• PubChem CID: 2782489

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4633381
• LogD (pH = 7.4): 3.4633381
• Log P: 3.4633381
• Molar Refractivity: 31.7162 cm^3
• Polarizability: 12.259186 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive