1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride

C14H11F19O3 — CID 91111246

About 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride

1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride (PubChem CID 91111246) has the molecular formula C14H11F19O3 and a molecular weight of 588.20 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride.

Molecular Properties

• Compound Name: 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
• PubChem CID: 91111246
• Molecular Formula: C14H11F19O3
• Molecular Weight: 588.20 g/mol
• Exact Mass: 588.04
• IUPAC Name: 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
• SMILES: C=C(F)C(F)(F)OC(C)C(F)(F)F.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCC(F)(F)F.F
• InChI: InChI=1S/C8H4F12O2.C6H6F6O.FH/c1-3(9)5(13,14)22-6(15,7(16,17)18)8(19,20)21-2-4(10,11)12;1-3(7)6(11,12)13-4(2)5(8,9)10;/h1-2H2;4H,1H2,2H3;1H
• InChIKey: LEQUGOWJJVOSKP-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.20
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?

The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride (CID 91111246) is 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride.

What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?

The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride is C=C(F)C(F)(F)OC(C)C(F)(F)F.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OCC(F)(F)F.F.

What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?

The InChIKey is LEQUGOWJJVOSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F12O2.C6H6F6O.FH/c1-3(9)5(13,14)22-6(15,7(16,17)18)8(19,20)21-2-4(10,11)12;1-3(7)6(11,12)13-4(2)5(8,9)10;/h1-2H2;4H,1H2,2H3;1H.

What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?

1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride has a molecular weight of 588.20 g/mol, XLogP of 7.66, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,3,3-hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride is sourced from PubChem (CID 91111246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).