1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol

C27H24F30O9 — CID 163923656

About 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol

1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol (PubChem CID 163923656) has the molecular formula C27H24F30O9 and a molecular weight of 1062.42 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol
• PubChem CID: 163923656
• Molecular Formula: C27H24F30O9
• Molecular Weight: 1062.42 g/mol
• Exact Mass: 1062.09
• IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol
• SMILES: C=CCOCC(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.C=CCOCC(O)CO.FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C16H12F20O5.C6H12O3.C5F10O/c1-2-3-37-4-6(39-10(21,22)8(18)41-16(35,36)12(25,26)14(30,31)32)5-38-9(19,20)7(17)40-15(33,34)11(23,24)13(27,28)29;1-2-3-9-5-6(8)4-7;6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13/h2,6-8H,1,3-5H2;2,6-8H,1,3-5H2
• InChIKey: RCOXFPBNOAABHH-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 105.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 25
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1062.42
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol?

The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol (CID 163923656) is 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol.

What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol?

The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol is C=CCOCC(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)F.C=CCOCC(O)CO.FC(F)=C(F)OC(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol?

The InChIKey is RCOXFPBNOAABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F20O5.C6H12O3.C5F10O/c1-2-3-37-4-6(39-10(21,22)8(18)41-16(35,36)12(25,26)14(30,31)32)5-38-9(19,20)7(17)40-15(33,34)11(23,24)13(27,28)29;1-2-3-9-5-6(8)4-7;6-1(7)2(8)16-5(14,15)3(9,10)4(11,12)13/h2,6-8H,1,3-5H2;2,6-8H,1,3-5H2;.

What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol?

1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol has a molecular weight of 1062.42 g/mol, XLogP of 10.35, 25 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,2,2-trifluoroethenoxy)propane;1,1,1,2,2,3,3-heptafluoro-3-[1,2,2-trifluoro-2-[3-prop-2-enoxy-2-[1,1,2-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethoxy]propoxy]ethoxy]propane;3-prop-2-enoxypropane-1,2-diol is sourced from PubChem (CID 163923656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).