2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

C14H25F3O6 — CID 526864

IUPAC2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCCCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C14H25F3O6/c1-2-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13(18)14(15,16)17/h2-12H2,1H3
InChIKeyZTOUDZGTXQOXCW-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.96
Rot. Bonds15

About 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (PubChem CID 526864) has the molecular formula C14H25F3O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
PubChem CID526864
Molecular FormulaC14H25F3O6
Molecular Weight346.34 g/mol
Exact Mass346.16
IUPAC Name2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCCCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C14H25F3O6/c1-2-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13(18)14(15,16)17/h2-12H2,1H3
InChIKeyZTOUDZGTXQOXCW-UHFFFAOYSA-N
XLogP1.96
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_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 2,2,2-trifluoroacetate?
The IUPAC name of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (CID 526864) is 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is CCCCOCCOCCOCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The InChIKey is ZTOUDZGTXQOXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3O6/c1-2-3-4-19-5-6-20-7-8-21-9-10-22-11-12-23-13(18)14(15,16)17/h2-12H2,1H3.
What are the key properties of 2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate has a molecular weight of 346.34 g/mol, XLogP of 1.96, 15 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 2,2,2-trifluoroacetate is sourced from PubChem (CID 526864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).