tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate

• ChemBase ID: 100617
• Molecular Formular: C14F26O3
• Molecular Mass: 710.1064832
• Monoisotopic Mass: 709.94322758
• SMILES: O(C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: O=C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C14F26O3/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1(41)43-2(42)4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40
• InChIKey: NWDZSYHMBYNCRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• IUPAC Traditional name: tridecafluoroheptanoyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
• Synonyms: Perfluoroheptanoic anhydride

Database IDs

• CAS Number: 78225-99-7
• MDL Number: MFCD00156011
• PubChem SID: 162086572
• PubChem CID: 2776124

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 8.958565
• LogD (pH = 7.4): 8.958565
• Log P: 8.958565
• Molar Refractivity: 70.7824 cm^3
• Polarizability: 28.538847 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive