2-ethoxyethyl 2,2,2-trifluoroacetate

C6H9F3O3 — CID 71672713

IUPAC2-ethoxyethyl 2,2,2-trifluoroacetate
SMILESCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3
InChIKeyVIINFFLJPQYOIZ-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.13
Rot. Bonds4

About 2-ethoxyethyl 2,2,2-trifluoroacetate

2-ethoxyethyl 2,2,2-trifluoroacetate (PubChem CID 71672713) has the molecular formula C6H9F3O3 and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-ethoxyethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-ethoxyethyl 2,2,2-trifluoroacetate
PubChem CID71672713
Molecular FormulaC6H9F3O3
Molecular Weight186.13 g/mol
Exact Mass186.05
IUPAC Name2-ethoxyethyl 2,2,2-trifluoroacetate
SMILESCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C6H9F3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3
InChIKeyVIINFFLJPQYOIZ-UHFFFAOYSA-N
XLogP1.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

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

Analyze 2-ethoxyethyl 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 10799452
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
2-(2-butoxyethoxy)ethyl 2,2,2-trifluoroacetate
CID 526892
2-[2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428147
2-[2-[2-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 6428153
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
2-(2-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid
CID 88878514
3-O-(2-ethoxyethyl) 1-O-ethyl 2,2-diethylpropanedioate
CID 91696123
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
2-(methylcarbamoyloxy)ethyl 2,2,2-trifluoroacetate
CID 146363866

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-ethoxyethyl 2,2,2-trifluoroacetate (CID 71672713) is 2-ethoxyethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-ethoxyethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-ethoxyethyl 2,2,2-trifluoroacetate is CCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-ethoxyethyl 2,2,2-trifluoroacetate?
The InChIKey is VIINFFLJPQYOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O3/c1-2-11-3-4-12-5(10)6(7,8)9/h2-4H2,1H3.
What are the key properties of 2-ethoxyethyl 2,2,2-trifluoroacetate?
2-ethoxyethyl 2,2,2-trifluoroacetate has a molecular weight of 186.13 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 71672713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).