methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate

C10H6F12O7 — CID 2778357

IUPACmethyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC
InChIInChI=1S/C10H6F12O7/c1-25-3(23)5(11,12)27-7(15,16)9(19,20)29-10(21,22)8(17,18)28-6(13,14)4(24)26-2/h1-2H3
InChIKeyWLUWVVHUMQEZQT-UHFFFAOYSA-N
MW466.13 g/mol
LogP2.94
Rot. Bonds10

About methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate

methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate (PubChem CID 2778357) has the molecular formula C10H6F12O7 and a molecular weight of 466.13 g/mol. Its IUPAC name is methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
PubChem CID2778357
Molecular FormulaC10H6F12O7
Molecular Weight466.13 g/mol
Exact Mass465.99
IUPAC Namemethyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate
SMILESCOC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC
InChIInChI=1S/C10H6F12O7/c1-25-3(23)5(11,12)27-7(15,16)9(19,20)29-10(21,22)8(17,18)28-6(13,14)4(24)26-2/h1-2H3
InChIKeyWLUWVVHUMQEZQT-UHFFFAOYSA-N
XLogP2.94
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.13
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate with MolForge

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Related Compounds

Methyl perfluoro-2,5,8-trimethyl-3,6,9-trioxadodecanoate
CID 142346
Methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy)ethoxy)acetate
CID 2769352
Methyl 2,2-difluoro-2-(1,1,2,2-tetrafluoro-2-(perfluorobutoxy)ethoxy)acetate
CID 2769356
Methyl difluoro{1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy}acetate
CID 2769358
Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid methyl ester
CID 141268
Methyl perfluoro-3,6-dioxaheptanoate
CID 2769357
HFPO pentamer, methyl ester
CID 2775487
Methyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propanoate
CID 2782412
Ethyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 12751209
Propyl 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoate
CID 15938552
2-Methoxyethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 71673056
Bis(2,2,2-trifluoroethyl) oxalate
CID 17759103

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?
The IUPAC name of methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate (CID 2778357) is methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?
The canonical SMILES for methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate is COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(=O)OC.
What is the InChIKey of methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?
The InChIKey is WLUWVVHUMQEZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F12O7/c1-25-3(23)5(11,12)27-7(15,16)9(19,20)29-10(21,22)8(17,18)28-6(13,14)4(24)26-2/h1-2H3.
What are the key properties of methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate?
methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate has a molecular weight of 466.13 g/mol, XLogP of 2.94, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[2-(1,1-difluoro-2-methoxy-2-oxoethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethoxy]-2,2-difluoroacetate is sourced from PubChem (CID 2778357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).