1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate

C8H13F3O4 — CID 118909861

IUPAC1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCCOCCOC(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O4/c1-3-13-4-5-14-6(2)15-7(12)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyCXWLNHIHQZSFRJ-UHFFFAOYSA-N
MW230.18 g/mol
LogP1.49
Rot. Bonds6

About 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate

1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate (PubChem CID 118909861) has the molecular formula C8H13F3O4 and a molecular weight of 230.18 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
PubChem CID118909861
Molecular FormulaC8H13F3O4
Molecular Weight230.18 g/mol
Exact Mass230.08
IUPAC Name1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCCOCCOC(C)OC(=O)C(F)(F)F
InChIInChI=1S/C8H13F3O4/c1-3-13-4-5-14-6(2)15-7(12)8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyCXWLNHIHQZSFRJ-UHFFFAOYSA-N
XLogP1.49
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate (CID 118909861) is 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate is CCOCCOC(C)OC(=O)C(F)(F)F.
What is the InChIKey of 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The InChIKey is CXWLNHIHQZSFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O4/c1-3-13-4-5-14-6(2)15-7(12)8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate?
1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate has a molecular weight of 230.18 g/mol, XLogP of 1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 118909861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).