nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

• ChemBase ID: 15287
• Molecular Formular: C10F18O3
• Molecular Mass: 510.0764576
• Monoisotopic Mass: 509.95600182
• SMILES: C(=O)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10F18O3/c11-3(12,5(15,16)7(19,20)9(23,24)25)1(29)31-2(30)4(13,14)6(17,18)8(21,22)10(26,27)28
• InChIKey: YHNMNWOUFKIZLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• IUPAC Traditional name: nonafluoropentanoyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
• Synonyms: Perfluoropentanoic anhydride

Database IDs

• CAS Number: 308-28-1
• MDL Number: MFCD06248659
• PubChem SID: 160978594
• PubChem CID: 2769668

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.155994
• LogD (pH = 7.4): 6.155994
• Log P: 6.155994
• Molar Refractivity: 52.1104 cm^3
• Polarizability: 20.871147 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 146°C

Safety Information

• Storage Warning: IRRITANT, CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%