pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate

• ChemBase ID: 8870
• Molecular Formular: C16F30O3
• Molecular Mass: 810.121496
• Monoisotopic Mass: 809.93684046
• SMILES: C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)C(=O)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C16F30O3/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1(47)49-2(48)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46
• InChIKey: NBEDTLDKOMPAQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• IUPAC Traditional name: pentadecafluorooctanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
• Synonyms: Perfluorooctanoic anhydride; Perfluorooctanoic anhydride 97%

Database IDs

• CAS Number: 33496-48-9
• MDL Number: MFCD00039243
• PubChem SID: 160972177
• PubChem CID: 118491

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 10.359851
• LogD (pH = 7.4): 10.359851
• Log P: 10.359851
• Molar Refractivity: 80.1184 cm^3
• Polarizability: 32.37363 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 100°C/15mm

Safety Information

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

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05225446

MP Biomedicals Rare Chemical collection