2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate

C9H13F5O4 — CID 10755167

IUPAC2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5O4/c1-2-16-3-4-17-5-6-18-7(15)8(10,11)9(12,13)14/h2-6H2,1H3
InChIKeyFQCCIXQOWKJORU-UHFFFAOYSA-N
MW280.19 g/mol
LogP1.78
Rot. Bonds8

About 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate

2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 10755167) has the molecular formula C9H13F5O4 and a molecular weight of 280.19 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID10755167
Molecular FormulaC9H13F5O4
Molecular Weight280.19 g/mol
Exact Mass280.07
IUPAC Name2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H13F5O4/c1-2-16-3-4-17-5-6-18-7(15)8(10,11)9(12,13)14/h2-6H2,1H3
InChIKeyFQCCIXQOWKJORU-UHFFFAOYSA-N
XLogP1.78
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.19
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate (CID 10755167) is 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate is CCOCCOCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is FQCCIXQOWKJORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F5O4/c1-2-16-3-4-17-5-6-18-7(15)8(10,11)9(12,13)14/h2-6H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate?
2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 280.19 g/mol, XLogP of 1.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 10755167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).