ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate

C11H7F13O4 — CID 20802368

IUPACethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C11H7F13O4/c1-3-26-5(25)6(13,9(17,18)19)27-11(23,24)8(16,10(20,21)22)28-7(14,15)4(2)12/h2-3H2,1H3
InChIKeyDZMKOESXWKHKAO-UHFFFAOYSA-N
MW450.15 g/mol
LogP4.71
Rot. Bonds8

About ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate

ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate (PubChem CID 20802368) has the molecular formula C11H7F13O4 and a molecular weight of 450.15 g/mol. Its IUPAC name is ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate.

Molecular Properties

Compound Nameethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
PubChem CID20802368
Molecular FormulaC11H7F13O4
Molecular Weight450.15 g/mol
Exact Mass450.01
IUPAC Nameethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OCC)C(F)(F)F
InChIInChI=1S/C11H7F13O4/c1-3-26-5(25)6(13,9(17,18)19)27-11(23,24)8(16,10(20,21)22)28-7(14,15)4(2)12/h2-3H2,1H3
InChIKeyDZMKOESXWKHKAO-UHFFFAOYSA-N
XLogP4.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.15
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
The IUPAC name of ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate (CID 20802368) is ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate.
What is the SMILES notation for ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
The canonical SMILES for ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(=O)OCC)C(F)(F)F.
What is the InChIKey of ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
The InChIKey is DZMKOESXWKHKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F13O4/c1-3-26-5(25)6(13,9(17,18)19)27-11(23,24)8(16,10(20,21)22)28-7(14,15)4(2)12/h2-3H2,1H3.
What are the key properties of ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate?
ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate has a molecular weight of 450.15 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propanoate is sourced from PubChem (CID 20802368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).