(2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate

C5H5F3O4 — CID 13115459

IUPAC(2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate
SMILESCOC(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O4/c1-11-3(9)2-12-4(10)5(6,7)8/h2H2,1H3
InChIKeyVFUXTANPCKULSS-UHFFFAOYSA-N
MW186.08 g/mol
LogP0.26
Rot. Bonds2

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

(2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate (PubChem CID 13115459) has the molecular formula C5H5F3O4 and a molecular weight of 186.08 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate
PubChem CID13115459
Molecular FormulaC5H5F3O4
Molecular Weight186.08 g/mol
Exact Mass186.01
IUPAC Name(2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate
SMILESCOC(=O)COC(=O)C(F)(F)F
InChIInChI=1S/C5H5F3O4/c1-11-3(9)2-12-4(10)5(6,7)8/h2H2,1H3
InChIKeyVFUXTANPCKULSS-UHFFFAOYSA-N
XLogP0.26
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.08
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate (CID 13115459) is (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate is COC(=O)COC(=O)C(F)(F)F.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
The InChIKey is VFUXTANPCKULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O4/c1-11-3(9)2-12-4(10)5(6,7)8/h2H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate?
(2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate has a molecular weight of 186.08 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2,2,2-trifluoroacetate is sourced from PubChem (CID 13115459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).