nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate

• ChemBase ID: 98991
• Molecular Formular: C20F38O3
• Molecular Mass: 1010.1515216
• Monoisotopic Mass: 1009.92406622
• SMILES: FC(C(C(C(C(C(C(C(C(C(=O)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)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(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(=O)C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C20F38O3/c21-3(22,5(25,26)7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)55)1(59)61-2(60)4(23,24)6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(56,57)58
• InChIKey: ZMOVGRSTRJMBKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
• IUPAC Traditional name: nonadecafluorodecanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecanoate
• Synonyms: Perfluorodecanoic anhydride 97+%

Database IDs

• CAS Number: 942199-24-8
• PubChem SID: 162085293
• PubChem CID: 45075736

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 13.162421
• LogD (pH = 7.4): 13.162421
• Log P: 13.162421
• Molar Refractivity: 98.7904 cm^3
• Polarizability: 40.044147 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 20
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Corrosive