methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate

• ChemBase ID: 6666
• Molecular Formular: C10H3F17O4
• Molecular Mass: 510.1012744
• Monoisotopic Mass: 509.97598832
• SMILES: O=C(C(OC(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)OC
• Canonical SMILES: COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F
• InChI: InChI=1S/C10H3F17O4/c1-29-2(28)3(11,6(15,16)17)30-10(26,27)5(14,8(21,22)23)31-9(24,25)4(12,13)7(18,19)20/h1H3
• InChIKey: UMADKHFVSXRTGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
• IUPAC Traditional name: methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
• Synonyms: Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester; Methyl perfluoro-2,5-dimethyl-3,6-dioxanonanoate 97%; Methyl 2,3,3,3-tetrafluoro-2-(1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy)propanoate; Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester; HFPO trimer carbomethoxylate; Methyl perfluoro-2,5-dimethyl-3,6-dioxanonanoate; 全氟(2,5-二甲基-3,6-二氧杂壬酸)甲酯

Database IDs

• CAS Number: 26131-32-8
• EC Number: 000-000-0
• MDL Number: MFCD00054723
• PubChem SID: 160969973
• PubChem CID: 141268

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 6.5288663
• LogD (pH = 7.4): 6.5288663
• Log P: 6.5288663
• Molar Refractivity: 56.7216 cm^3
• Polarizability: 22.030663 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 155-156°C; 155-156°C
• Flash Point: none°C
• Refractive Index: <1.300

Safety Information

• Storage Warning: Corrosive; IRRITANT
• TSCA Listed: false; 否

Product Information

• Purity: 97%