2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

C12H19F5O6 — CID 91694239

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H19F5O6/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10(18)11(13,14)12(15,16)17/h2-9H2,1H3
InChIKeyCIPYBQIMJRGDJD-UHFFFAOYSA-N
MW354.27 g/mol
LogP1.42
Rot. Bonds13

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91694239) has the molecular formula C12H19F5O6 and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91694239
Molecular FormulaC12H19F5O6
Molecular Weight354.27 g/mol
Exact Mass354.11
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H19F5O6/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10(18)11(13,14)12(15,16)17/h2-9H2,1H3
InChIKeyCIPYBQIMJRGDJD-UHFFFAOYSA-N
XLogP1.42
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91694239) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is COCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is CIPYBQIMJRGDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F5O6/c1-19-2-3-20-4-5-21-6-7-22-8-9-23-10(18)11(13,14)12(15,16)17/h2-9H2,1H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 354.27 g/mol, XLogP of 1.42, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91694239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).