3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane

C12H9F17O3 — CID 157108994

About 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane

3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane (PubChem CID 157108994) has the molecular formula C12H9F17O3 and a molecular weight of 524.17 g/mol. Its IUPAC name is 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane.

Molecular Properties

• Compound Name: 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane
• PubChem CID: 157108994
• Molecular Formula: C12H9F17O3
• Molecular Weight: 524.17 g/mol
• Exact Mass: 524.03
• IUPAC Name: 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane
• SMILES: C=CCOCF.FC(F)(F)COC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C8H2F16O2.C4H7FO/c9-2(10,11)1-25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17;1-2-3-6-4-5/h1H2;2H,1,3-4H2
• InChIKey: AGPYTOPSWWZOLZ-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.17
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'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 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane?

The IUPAC name of 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane (CID 157108994) is 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane.

What is the SMILES notation for 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane?

The canonical SMILES for 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane is C=CCOCF.FC(F)(F)COC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane?

The InChIKey is AGPYTOPSWWZOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F16O2.C4H7FO/c9-2(10,11)1-25-8(23,24)4(14,6(18,19)20)26-7(21,22)3(12,13)5(15,16)17;1-2-3-6-4-5/h1H2;2H,1,3-4H2.

What are the key properties of 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane?

3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane has a molecular weight of 524.17 g/mol, XLogP of 6.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(fluoromethoxy)prop-1-ene;1,1,1,2,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-3-(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 157108994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).