2,2,3,3,4,4,5,5-octafluoropentanoyl chloride

• ChemBase ID: 9892
• Molecular Formular: C5HClF8O
• Molecular Mass: 264.5010656
• Monoisotopic Mass: 263.95881809
• SMILES: C(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(C(=O)Cl)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C5HClF8O/c6-1(15)3(9,10)5(13,14)4(11,12)2(7)8/h2H
• InChIKey: GMTHNTFUIUGECX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
• IUPAC Traditional name: 2,2,3,3,4,4,5,5-octafluoropentanoyl chloride
• Synonyms: 5H-Octafluoropentanoyl chloride; 5H-Octafluorovaleroyl chloride; 2,2,3,3,4,4,5,5-Octafluoropentanoyl chloride; 5H-Octafluoropentanoyl chloride 97%

Database IDs

• CAS Number: 376-71-6
• MDL Number: MFCD00153221
• PubChem SID: 160973199
• PubChem CID: 2775875

CALCULATED PROPERTIES

• Acid pKa: 19.781778
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.0554802
• LogD (pH = 7.4): 3.0554802
• Log P: 3.0554802
• Molar Refractivity: 30.6267 cm^3
• Polarizability: 12.107312 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 85-88°C; 86-88°C
• Density: 1.67; 1.670
• Refractive Index: 1.324

Safety Information

• Storage Warning: Corrosive/Irritant/Lachrymatory/Stench/Moisture Sensitive/Store under Argon/Keep Cold; STENCH, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%