nonafluoropentanoyl chloride

• ChemBase ID: 8906
• Molecular Formular: C5ClF9O
• Molecular Mass: 282.4915288
• Monoisotopic Mass: 281.94939628
• SMILES: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl
• Canonical SMILES: ClC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5ClF9O/c6-1(16)2(7,8)3(9,10)4(11,12)5(13,14)15
• InChIKey: HRBNMYUNLLWPAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonafluoropentanoyl chloride
• IUPAC Traditional name: nonafluoropentanoyl chloride
• Synonyms: Nonafluoropentanoyl chloride; Nonafluoropentanoyl chloride 97%

Database IDs

• CAS Number: 375-60-0
• MDL Number: MFCD00155890
• PubChem SID: 160972213
• PubChem CID: 2775840

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5442407
• LogD (pH = 7.4): 3.5442407
• Log P: 3.5442407
• Molar Refractivity: 31.5164 cm^3
• Polarizability: 12.269407 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 67.5-68°C
• Flash Point: none°C

Safety Information

• Storage Warning: CORROSIVE; Corrosive
• TSCA Listed: false

Product Information

• Purity: 97%