2-methoxyethyl 2,2,2-trifluoroacetate

C5H7F3O3 — CID 71363284

IUPAC2-methoxyethyl 2,2,2-trifluoroacetate
SMILESCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-10-2-3-11-4(9)5(6,7)8/h2-3H2,1H3
InChIKeyCZDCICPBYIRPFA-UHFFFAOYSA-N
MW172.10 g/mol
LogP0.74
Rot. Bonds3

About 2-methoxyethyl 2,2,2-trifluoroacetate

2-methoxyethyl 2,2,2-trifluoroacetate (PubChem CID 71363284) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is 2-methoxyethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-methoxyethyl 2,2,2-trifluoroacetate
PubChem CID71363284
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Name2-methoxyethyl 2,2,2-trifluoroacetate
SMILESCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-10-2-3-11-4(9)5(6,7)8/h2-3H2,1H3
InChIKeyCZDCICPBYIRPFA-UHFFFAOYSA-N
XLogP0.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.10
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-methoxyethyl 2,2,2-trifluoroacetate (CID 71363284) is 2-methoxyethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-methoxyethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-methoxyethyl 2,2,2-trifluoroacetate is COCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-methoxyethyl 2,2,2-trifluoroacetate?
The InChIKey is CZDCICPBYIRPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-10-2-3-11-4(9)5(6,7)8/h2-3H2,1H3.
What are the key properties of 2-methoxyethyl 2,2,2-trifluoroacetate?
2-methoxyethyl 2,2,2-trifluoroacetate has a molecular weight of 172.10 g/mol, XLogP of 0.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 71363284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).