methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate

C12H9F13O5 — CID 91129881

IUPACmethyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC(=O)OC)C(F)(F)F
InChIInChI=1S/C12H9F13O5/c1-5(13)8(15,16)30-9(17,11(21,22)23)12(24,25)29-7(14,10(18,19)20)4-28-3-6(26)27-2/h1,3-4H2,2H3
InChIKeyAJILFZHCDXAJRO-UHFFFAOYSA-N
MW480.17 g/mol
LogP4.33
Rot. Bonds10

About methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate

methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate (PubChem CID 91129881) has the molecular formula C12H9F13O5 and a molecular weight of 480.17 g/mol. Its IUPAC name is methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate
PubChem CID91129881
Molecular FormulaC12H9F13O5
Molecular Weight480.17 g/mol
Exact Mass480.02
IUPAC Namemethyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC(=O)OC)C(F)(F)F
InChIInChI=1S/C12H9F13O5/c1-5(13)8(15,16)30-9(17,11(21,22)23)12(24,25)29-7(14,10(18,19)20)4-28-3-6(26)27-2/h1,3-4H2,2H3
InChIKeyAJILFZHCDXAJRO-UHFFFAOYSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.17
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate?
The IUPAC name of methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate (CID 91129881) is methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate.
What is the SMILES notation for methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate?
The canonical SMILES for methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(COCC(=O)OC)C(F)(F)F.
What is the InChIKey of methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate?
The InChIKey is AJILFZHCDXAJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F13O5/c1-5(13)8(15,16)30-9(17,11(21,22)23)12(24,25)29-7(14,10(18,19)20)4-28-3-6(26)27-2/h1,3-4H2,2H3.
What are the key properties of methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate?
methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate has a molecular weight of 480.17 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]propoxy]acetate is sourced from PubChem (CID 91129881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).