(2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate

C6H7F3O4 — CID 15104038

IUPAC(2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate
SMILESCCOC(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3O4/c1-2-12-4(10)3-13-5(11)6(7,8)9/h2-3H2,1H3
InChIKeyFZISYPOGNXWTAK-UHFFFAOYSA-N
MW200.11 g/mol
LogP0.65
Rot. Bonds3

About (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate

(2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate (PubChem CID 15104038) has the molecular formula C6H7F3O4 and a molecular weight of 200.11 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate
PubChem CID15104038
Molecular FormulaC6H7F3O4
Molecular Weight200.11 g/mol
Exact Mass200.03
IUPAC Name(2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate
SMILESCCOC(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C6H7F3O4/c1-2-12-4(10)3-13-5(11)6(7,8)9/h2-3H2,1H3
InChIKeyFZISYPOGNXWTAK-UHFFFAOYSA-N
XLogP0.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methoxyethyl 2,2,2-trifluoroacetate
CID 71363284
Methyl perfluoro-3,6-dioxaheptanoate
CID 2769357
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
[1,1,2-Trifluoro-2-(trifluoromethoxy)ethoxy]acetic acid
CID 71425837
2-Methoxyethyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
CID 71673056
Bis(2,2,2-trifluoroethyl) oxalate
CID 17759103
2-(2-Methoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 91692267
Methyl 4,4,6,6,7,7,9,9,10,10,12,12-dodecafluoro-3-oxo-2,5,8,11-tetraoxatridecan-13-oate
CID 2778357
Ethyl 2-(trifluoromethoxy)acetate
CID 11446589
Ethyl 2-(2,2,2-trifluoroethoxy)acetate
CID 13148955
Ethanedioic acid, monoethyl ester
CID 21943339

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate (CID 15104038) is (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate is CCOC(=O)COC(=O)C(F)(F)F.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
The InChIKey is FZISYPOGNXWTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O4/c1-2-12-4(10)3-13-5(11)6(7,8)9/h2-3H2,1H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
(2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate has a molecular weight of 200.11 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 15104038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).