2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate

C8H13F3O4 — CID 10799452

IUPAC2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O4/c1-2-13-3-4-14-5-6-15-7(12)8(9,10)11/h2-6H2,1H3
InChIKeySZSPRIKEXQUPCA-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.14
Rot. Bonds7

About 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate

2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate (PubChem CID 10799452) has the molecular formula C8H13F3O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
PubChem CID10799452
Molecular FormulaC8H13F3O4
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O4/c1-2-13-3-4-14-5-6-15-7(12)8(9,10)11/h2-6H2,1H3
InChIKeySZSPRIKEXQUPCA-UHFFFAOYSA-N
XLogP1.14
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
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-ethoxyethoxy)ethyl 4,4,4-trifluoro-3-oxobutanoate
CID 87788942
3-[2-(2,2,2-trifluoroacetyl)oxyethoxy]propanoic acid
CID 88878514
2-(2,2,2-trifluoroacetyl)oxyethyl 2,2-dimethylpropanoate
CID 90159990
4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
bis(2-ethoxyethyl) 2-ethyl-2-methylpropanedioate
CID 101278782
bis[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl] carbonate
CID 123756469
3-O-(2-ethoxyethyl) 1-O-ethyl 2,2-diethylpropanedioate
CID 91696123

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate (CID 10799452) is 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate is CCOCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The InChIKey is SZSPRIKEXQUPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O4/c1-2-13-3-4-14-5-6-15-7(12)8(9,10)11/h2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate has a molecular weight of 230.18 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 10799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).