2-fluoroethoxymethyl 2-fluoroacetate

C5H8F2O3 — CID 129034290

IUPAC2-fluoroethoxymethyl 2-fluoroacetate
SMILESO=C(CF)OCOCCF
InChIInChI=1S/C5H8F2O3/c6-1-2-9-4-10-5(8)3-7/h1-4H2
InChIKeyBHMRDBIPWFDKIX-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.44
Rot. Bonds5

About 2-fluoroethoxymethyl 2-fluoroacetate

2-fluoroethoxymethyl 2-fluoroacetate (PubChem CID 129034290) has the molecular formula C5H8F2O3 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2-fluoroethoxymethyl 2-fluoroacetate.

Molecular Properties

Compound Name2-fluoroethoxymethyl 2-fluoroacetate
PubChem CID129034290
Molecular FormulaC5H8F2O3
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2-fluoroethoxymethyl 2-fluoroacetate
SMILESO=C(CF)OCOCCF
InChIInChI=1S/C5H8F2O3/c6-1-2-9-4-10-5(8)3-7/h1-4H2
InChIKeyBHMRDBIPWFDKIX-UHFFFAOYSA-N
XLogP0.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 50.44
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 2-fluoroethoxymethyl 2-fluoroacetate?
The IUPAC name of 2-fluoroethoxymethyl 2-fluoroacetate (CID 129034290) is 2-fluoroethoxymethyl 2-fluoroacetate.
What is the SMILES notation for 2-fluoroethoxymethyl 2-fluoroacetate?
The canonical SMILES for 2-fluoroethoxymethyl 2-fluoroacetate is O=C(CF)OCOCCF.
What is the InChIKey of 2-fluoroethoxymethyl 2-fluoroacetate?
The InChIKey is BHMRDBIPWFDKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O3/c6-1-2-9-4-10-5(8)3-7/h1-4H2.
What are the key properties of 2-fluoroethoxymethyl 2-fluoroacetate?
2-fluoroethoxymethyl 2-fluoroacetate has a molecular weight of 154.11 g/mol, XLogP of 0.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethoxymethyl 2-fluoroacetate is sourced from PubChem (CID 129034290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).