methyl 2-ethoxy-3,3,3-trifluoropropanoate

C6H9F3O3 — CID 22913220

IUPACmethyl 2-ethoxy-3,3,3-trifluoropropanoate
SMILESCCOC(C(=O)OC)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-3-12-4(5(10)11-2)6(7,8)9/h4H,3H2,1-2H3
InChIKeyTUKJMZKWFYTKFJ-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.13
Rot. Bonds3

About methyl 2-ethoxy-3,3,3-trifluoropropanoate

methyl 2-ethoxy-3,3,3-trifluoropropanoate (PubChem CID 22913220) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is methyl 2-ethoxy-3,3,3-trifluoropropanoate.

Molecular Properties

Compound Namemethyl 2-ethoxy-3,3,3-trifluoropropanoate
PubChem CID22913220
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Namemethyl 2-ethoxy-3,3,3-trifluoropropanoate
SMILESCCOC(C(=O)OC)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-3-12-4(5(10)11-2)6(7,8)9/h4H,3H2,1-2H3
InChIKeyTUKJMZKWFYTKFJ-UHFFFAOYSA-N
XLogP1.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-ethoxy-3,3,3-trifluoropropanoate?
The IUPAC name of methyl 2-ethoxy-3,3,3-trifluoropropanoate (CID 22913220) is methyl 2-ethoxy-3,3,3-trifluoropropanoate.
What is the SMILES notation for methyl 2-ethoxy-3,3,3-trifluoropropanoate?
The canonical SMILES for methyl 2-ethoxy-3,3,3-trifluoropropanoate is CCOC(C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl 2-ethoxy-3,3,3-trifluoropropanoate?
The InChIKey is TUKJMZKWFYTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-3-12-4(5(10)11-2)6(7,8)9/h4H,3H2,1-2H3.
What are the key properties of methyl 2-ethoxy-3,3,3-trifluoropropanoate?
methyl 2-ethoxy-3,3,3-trifluoropropanoate has a molecular weight of 186.13 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethoxy-3,3,3-trifluoropropanoate is sourced from PubChem (CID 22913220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).