ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate

C6H6F6O3 — CID 13141610

IUPACethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
SMILESCCOC(=O)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C6H6F6O3/c1-2-14-4(13)6(11,12)15-5(9,10)3(7)8/h3H,2H2,1H3
InChIKeyYKDQBPWBNOKVKA-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.02
Rot. Bonds5

About ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate

ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate (PubChem CID 13141610) has the molecular formula C6H6F6O3 and a molecular weight of 240.10 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
PubChem CID13141610
Molecular FormulaC6H6F6O3
Molecular Weight240.10 g/mol
Exact Mass240.02
IUPAC Nameethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate
SMILESCCOC(=O)C(F)(F)OC(F)(F)C(F)F
InChIInChI=1S/C6H6F6O3/c1-2-14-4(13)6(11,12)15-5(9,10)3(7)8/h3H,2H2,1H3
InChIKeyYKDQBPWBNOKVKA-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
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CID 91734908
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl 2,2-difluoro-2-(2-methoxyethoxy)acetate
CID 66455007
ethyl 2-(ethoxymethoxy)-2,2-difluoroacetate
CID 88881294
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-(difluoromethyl)-2-ethyl-3-oxobutanoate
CID 154367287
ethyl 2-diethoxyphosphanyloxy-2,2-difluoroacetate
CID 100924702
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl 4,4,5,5-tetrafluoropent-2-enoate
CID 123355611

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate (CID 13141610) is ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate is CCOC(=O)C(F)(F)OC(F)(F)C(F)F.
What is the InChIKey of ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate?
The InChIKey is YKDQBPWBNOKVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O3/c1-2-14-4(13)6(11,12)15-5(9,10)3(7)8/h3H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate?
ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate has a molecular weight of 240.10 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(1,1,2,2-tetrafluoroethoxy)acetate is sourced from PubChem (CID 13141610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).