2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate

C7H11F3O4 — CID 91692267

IUPAC2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3O4/c1-12-2-3-13-4-5-14-6(11)7(8,9)10/h2-5H2,1H3
InChIKeySKIQSOPREJGUFT-UHFFFAOYSA-N
MW216.15 g/mol
LogP0.75
Rot. Bonds6

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

2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate (PubChem CID 91692267) has the molecular formula C7H11F3O4 and a molecular weight of 216.15 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate
PubChem CID91692267
Molecular FormulaC7H11F3O4
Molecular Weight216.15 g/mol
Exact Mass216.06
IUPAC Name2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate
SMILESCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C7H11F3O4/c1-12-2-3-13-4-5-14-6(11)7(8,9)10/h2-5H2,1H3
InChIKeySKIQSOPREJGUFT-UHFFFAOYSA-N
XLogP0.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate (CID 91692267) is 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate is COCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate?
The InChIKey is SKIQSOPREJGUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O4/c1-12-2-3-13-4-5-14-6(11)7(8,9)10/h2-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate?
2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate has a molecular weight of 216.15 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 91692267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).