ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate

C7H10F4O3 — CID 12696175

IUPACethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate
SMILESCCOC(=O)C(F)(F)C(F)(F)OCC
InChIInChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,9)7(10,11)14-4-2/h3-4H2,1-2H3
InChIKeyNCDJVYAZECTRJM-UHFFFAOYSA-N
MW218.15 g/mol
LogP1.81
Rot. Bonds5

About ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate

ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate (PubChem CID 12696175) has the molecular formula C7H10F4O3 and a molecular weight of 218.15 g/mol. Its IUPAC name is ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Nameethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate
PubChem CID12696175
Molecular FormulaC7H10F4O3
Molecular Weight218.15 g/mol
Exact Mass218.06
IUPAC Nameethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate
SMILESCCOC(=O)C(F)(F)C(F)(F)OCC
InChIInChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,9)7(10,11)14-4-2/h3-4H2,1-2H3
InChIKeyNCDJVYAZECTRJM-UHFFFAOYSA-N
XLogP1.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate?
The IUPAC name of ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate (CID 12696175) is ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate.
What is the SMILES notation for ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate?
The canonical SMILES for ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate is CCOC(=O)C(F)(F)C(F)(F)OCC.
What is the InChIKey of ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate?
The InChIKey is NCDJVYAZECTRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O3/c1-3-13-5(12)6(8,9)7(10,11)14-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate?
ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate has a molecular weight of 218.15 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethoxy-2,2,3,3-tetrafluoropropanoate is sourced from PubChem (CID 12696175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).