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

C9H10F6O7 — CID 163637111

IUPACmethyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate
SMILESCOC(=O)COCC(F)(F)OC(F)(F)OC(F)(F)C(=O)OC
InChIInChI=1S/C9H10F6O7/c1-18-5(16)3-20-4-7(10,11)21-9(14,15)22-8(12,13)6(17)19-2/h3-4H2,1-2H3
InChIKeyIBCMEEROWHUJJS-UHFFFAOYSA-N
MW344.16 g/mol
LogP1.12
Rot. Bonds9

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

methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate (PubChem CID 163637111) has the molecular formula C9H10F6O7 and a molecular weight of 344.16 g/mol. Its IUPAC name is methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate.

Molecular Properties

Compound Namemethyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate
PubChem CID163637111
Molecular FormulaC9H10F6O7
Molecular Weight344.16 g/mol
Exact Mass344.03
IUPAC Namemethyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate
SMILESCOC(=O)COCC(F)(F)OC(F)(F)OC(F)(F)C(=O)OC
InChIInChI=1S/C9H10F6O7/c1-18-5(16)3-20-4-7(10,11)21-9(14,15)22-8(12,13)6(17)19-2/h3-4H2,1-2H3
InChIKeyIBCMEEROWHUJJS-UHFFFAOYSA-N
XLogP1.12
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.16
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2,4-Dimethyl-1,3-dioxolan-2-yl)methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 21133314
(2,2-Diethoxyacetyl) 2,2,2-trifluoroacetate
CID 135086815
Methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
CID 14401464
Methyl 2-(1-butoxyethoxy)-2,2-difluoroacetate
CID 18995450
Methyl 2,2-difluoro-2-[1-(1-methoxyethoxy)ethoxy]acetate
CID 19001141
2,2-Dimethoxypropyl 3,3,3-trifluoro-2,2-bis(trifluoromethoxy)propanoate
CID 20733514
(2-Methyl-1,3-dioxolan-2-yl)methyl 3,3,3-trifluoro-2-fluorooxy-2-(1,1,2-trifluoroethoxy)propanoate
CID 20733516
Methyl 2,3,3,3-tetrafluoro-2-(1-methoxyethoxy)propanoate
CID 21189111
Methyl 2-(2-ethoxyethoxy)-2,2-difluoroacetate
CID 22079484
[Ethoxy(fluoro)methyl] 2-ethoxyacetate
CID 57150553
Methyl 2-fluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)acetate
CID 58692130
[1,1,2-Trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate
CID 58692140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate?
The IUPAC name of methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate (CID 163637111) is methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate.
What is the SMILES notation for methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate?
The canonical SMILES for methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate is COC(=O)COCC(F)(F)OC(F)(F)OC(F)(F)C(=O)OC.
What is the InChIKey of methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate?
The InChIKey is IBCMEEROWHUJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O7/c1-18-5(16)3-20-4-7(10,11)21-9(14,15)22-8(12,13)6(17)19-2/h3-4H2,1-2H3.
What are the key properties of methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate?
methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate has a molecular weight of 344.16 g/mol, XLogP of 1.12, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1,1-difluoro-2-(2-methoxy-2-oxoethoxy)ethoxy]-difluoromethoxy]-2,2-difluoroacetate is sourced from PubChem (CID 163637111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).