methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate

C18H12F24O8 — CID 121432768

IUPACmethyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate
SMILESCOC(=O)C(C)(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C18H12F24O8/c1-8(7(43)44-2,3-45-9(21,22)5(19)47-13(29,30)11(25,26)15(33,34)49-17(37,38)39)4-46-10(23,24)6(20)48-14(31,32)12(27,28)16(35,36)50-18(40,41)42/h5-6H,3-4H2,1-2H3
InChIKeyJTNPDMNPCFMLKM-UHFFFAOYSA-N
MW812.24 g/mol
LogP7.72
Rot. Bonds19

About methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate

methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate (PubChem CID 121432768) has the molecular formula C18H12F24O8 and a molecular weight of 812.24 g/mol. Its IUPAC name is methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate
PubChem CID121432768
Molecular FormulaC18H12F24O8
Molecular Weight812.24 g/mol
Exact Mass812.01
IUPAC Namemethyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate
SMILESCOC(=O)C(C)(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C18H12F24O8/c1-8(7(43)44-2,3-45-9(21,22)5(19)47-13(29,30)11(25,26)15(33,34)49-17(37,38)39)4-46-10(23,24)6(20)48-14(31,32)12(27,28)16(35,36)50-18(40,41)42/h5-6H,3-4H2,1-2H3
InChIKeyJTNPDMNPCFMLKM-UHFFFAOYSA-N
XLogP7.72
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds19
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.24
LogP ≤ 57.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate?
The IUPAC name of methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate (CID 121432768) is methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate is COC(=O)C(C)(COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)COC(F)(F)C(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate?
The InChIKey is JTNPDMNPCFMLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F24O8/c1-8(7(43)44-2,3-45-9(21,22)5(19)47-13(29,30)11(25,26)15(33,34)49-17(37,38)39)4-46-10(23,24)6(20)48-14(31,32)12(27,28)16(35,36)50-18(40,41)42/h5-6H,3-4H2,1-2H3.
What are the key properties of methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate?
methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate has a molecular weight of 812.24 g/mol, XLogP of 7.72, 19 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]-2-[[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethoxy]methyl]propanoate is sourced from PubChem (CID 121432768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).