3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

C15H14F20O3 — CID 90956387

About 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 90956387) has the molecular formula C15H14F20O3 and a molecular weight of 622.23 g/mol. Its IUPAC name is 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

• Compound Name: 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
• PubChem CID: 90956387
• Molecular Formula: C15H14F20O3
• Molecular Weight: 622.23 g/mol
• Exact Mass: 622.06
• IUPAC Name: 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
• SMILES: C=C(F)C(F)(F)OC(C)(F)C(F)(F)OCC(F)(F)F.C=C(F)C(F)(F)OCC.FC(F)(F)F.FC(F)(F)F
• InChI: InChI=1S/C8H7F9O2.C5H7F3O.2CF4/c1-4(9)7(14,15)19-5(2,10)8(16,17)18-3-6(11,12)13;1-3-9-5(7,8)4(2)6;2*2-1(3,4)5/h1,3H2,2H3;2-3H2,1H3
• InChIKey: LYKDGUGMEBXNJC-UHFFFAOYSA-N
• XLogP: 8.99
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.23
LogP ≤ 5	8.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?

The IUPAC name of 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 90956387) is 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.

What is the SMILES notation for 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?

The canonical SMILES for 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(C)(F)C(F)(F)OCC(F)(F)F.C=C(F)C(F)(F)OCC.FC(F)(F)F.FC(F)(F)F.

What is the InChIKey of 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?

The InChIKey is LYKDGUGMEBXNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O2.C5H7F3O.2CF4/c1-4(9)7(14,15)19-5(2,10)8(16,17)18-3-6(11,12)13;1-3-9-5(7,8)4(2)6;2*2-1(3,4)5/h1,3H2,2H3;2-3H2,1H3;;.

What are the key properties of 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?

3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 622.23 g/mol, XLogP of 8.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 90956387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).