ethoxymethyl 2,2,2-trifluoroacetate

C5H7F3O3 — CID 139650340

IUPACethoxymethyl 2,2,2-trifluoroacetate
SMILESCCOCOC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-10-3-11-4(9)5(6,7)8/h2-3H2,1H3
InChIKeyOZGSKMJEAWIZRU-UHFFFAOYSA-N
MW172.10 g/mol
LogP1.09
Rot. Bonds3

About ethoxymethyl 2,2,2-trifluoroacetate

ethoxymethyl 2,2,2-trifluoroacetate (PubChem CID 139650340) has the molecular formula C5H7F3O3 and a molecular weight of 172.10 g/mol. Its IUPAC name is ethoxymethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameethoxymethyl 2,2,2-trifluoroacetate
PubChem CID139650340
Molecular FormulaC5H7F3O3
Molecular Weight172.10 g/mol
Exact Mass172.03
IUPAC Nameethoxymethyl 2,2,2-trifluoroacetate
SMILESCCOCOC(=O)C(F)(F)F
InChIInChI=1S/C5H7F3O3/c1-2-10-3-11-4(9)5(6,7)8/h2-3H2,1H3
InChIKeyOZGSKMJEAWIZRU-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethoxymethyl 2,2,2-trifluoroacetate?
The IUPAC name of ethoxymethyl 2,2,2-trifluoroacetate (CID 139650340) is ethoxymethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for ethoxymethyl 2,2,2-trifluoroacetate?
The canonical SMILES for ethoxymethyl 2,2,2-trifluoroacetate is CCOCOC(=O)C(F)(F)F.
What is the InChIKey of ethoxymethyl 2,2,2-trifluoroacetate?
The InChIKey is OZGSKMJEAWIZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O3/c1-2-10-3-11-4(9)5(6,7)8/h2-3H2,1H3.
What are the key properties of ethoxymethyl 2,2,2-trifluoroacetate?
ethoxymethyl 2,2,2-trifluoroacetate has a molecular weight of 172.10 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 139650340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).