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

C15H25F5O6 — CID 91730602

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5O6/c1-2-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13(21)14(16,17)15(18,19)20/h2-12H2,1H3
InChIKeyCOFNBSPQYZUHQI-UHFFFAOYSA-N
MW396.35 g/mol
LogP2.59
Rot. Bonds16

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

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91730602) has the molecular formula C15H25F5O6 and a molecular weight of 396.35 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91730602
Molecular FormulaC15H25F5O6
Molecular Weight396.35 g/mol
Exact Mass396.16
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5O6/c1-2-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13(21)14(16,17)15(18,19)20/h2-12H2,1H3
InChIKeyCOFNBSPQYZUHQI-UHFFFAOYSA-N
XLogP2.59
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 52.59
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-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91730602) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is CCCCOCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is COFNBSPQYZUHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5O6/c1-2-3-4-22-5-6-23-7-8-24-9-10-25-11-12-26-13(21)14(16,17)15(18,19)20/h2-12H2,1H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 396.35 g/mol, XLogP of 2.59, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91730602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).